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2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid structure
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2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid

TL;DR: 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid (CAS 114873-10-8) is a chemical compound with molecular formula C14H18FNO4 and molecular weight 283.12198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Also Known As: BOC-D-2-Fluorophe, Boc-Phe(3-F)-OH, BOC-D-3-Fluorophe, Boc-3-fluoro-D-phenylalanine, Boc-L-3-Fluorophenylalanine

CAS Number
114873-10-8
Molecular Formula
C14H18FNO4
Molecular Weight
283.12198 g/mol
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Technical Specifications

Molecular FormulaC14H18FNO4
Molecular Weight283.12198 g/mol
XLogP2.6
Topological Polar Surface Area (TPSA)75.6 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds6
Exact Mass283.12198 Da
Heavy Atoms20
Complexity354.0
SMILESCC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
InChIKeyFPCCREICRYPTTL-UHFFFAOYSA-N

Chemical Property Profile of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid

XLogP
2.6
TPSA (Topological Polar Surface Area)
75.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
20
Complexity
354.0
Exact Mass
283.12198
Monoisotopic Mass
283.12198
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 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid

The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid. Following Lipinski's Rule of Five, 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid?

The CAS number of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is 114873-10-8.

What is the molecular formula of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid?

The molecular formula of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is C14H18FNO4.

What is the molecular weight of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid?

The molecular weight of 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid is 283.12198 g/mol.

Where can I buy 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid?

You can request a quote for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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