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4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid structure
Fine Chemical

4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid

TL;DR: 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid (CAS 1096687-20-5) is a chemical compound with molecular formula C19H26N2O6 and molecular weight 378.17908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-hydroxy-3,3-dimethyl-4-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid

Also Known As: 2-hydroxy-3,3-dimethyl-4-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic Acid, 4-({1-[(benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid, 4-(1-((benzyloxy)carbonyl)pyrrolidine-2-carboxamido)-2-hydroxy-3,3-dimethylbutanoic acid

CAS Number
1096687-20-5
Molecular Formula
C19H26N2O6
Molecular Weight
378.17908 g/mol
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Technical Specifications

Molecular FormulaC19H26N2O6
Molecular Weight378.17908 g/mol
XLogP1.6
Topological Polar Surface Area (TPSA)116.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds8
Exact Mass378.17908 Da
Heavy Atoms27
Complexity544.0
SMILESCC(C)(CNC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2)C(C(=O)O)O
InChIKeyQESQQIFTARZLCW-UHFFFAOYSA-N

Chemical Property Profile of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid

XLogP
1.6
TPSA (Topological Polar Surface Area)
116.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
8
Heavy Atoms
27
Complexity
544.0
Exact Mass
378.17908
Monoisotopic Mass
378.17908
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 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid

The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid. Following Lipinski's Rule of Five, 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic 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 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid?

The CAS number of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is 1096687-20-5.

What is the molecular formula of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid?

The molecular formula of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is C19H26N2O6.

What is the molecular weight of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid?

The molecular weight of 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid is 378.17908 g/mol.

Where can I buy 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid?

You can request a quote for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid?

Yes, CoreyChem provides custom synthesis services for 4-({1-[(Benzyloxy)carbonyl]prolyl}amino)-2-hydroxy-3,3-dimethylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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