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(2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid structure
Fine Chemical

(2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid

TL;DR: (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid (CAS 1173678-00-6) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.20563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid

Also Known As: (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid, (S)-4-amino-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-4-oxobutanoic acid

CAS Number
1173678-00-6
Molecular Formula
C21H29N3O6
Molecular Weight
419.20563 g/mol
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Technical Specifications

Molecular FormulaC21H29N3O6
Molecular Weight419.20563 g/mol
XLogP0.8
Topological Polar Surface Area (TPSA)139.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds8
Exact Mass419.20563 Da
Heavy Atoms30
Complexity658.0
SMILESCC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)O
InChIKeyUACLPYBALYKENK-HNNXBMFYSA-N

Chemical Property Profile of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid

XLogP
0.8
TPSA (Topological Polar Surface Area)
139.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
8
Heavy Atoms
30
Complexity
658.0
Exact Mass
419.20563
Monoisotopic Mass
419.20563
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid

The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid?

The CAS number of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid is 1173678-00-6.

What is the molecular formula of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid?

The molecular formula of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid is C21H29N3O6.

What is the molecular weight of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid?

The molecular weight of (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid is 419.20563 g/mol.

Where can I buy (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid?

You can request a quote for (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid?

Yes, CoreyChem provides custom synthesis services for (2S)-4-amino-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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