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(4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid structure
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(4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid

TL;DR: (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid (CAS 1460246-34-7) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-amino-5-(4-nitroanilino)-5-oxopentanoic acid

Also Known As: H-Glu-Pna, DL-H-Glu-pNA, L-Glutamic acid a-4-nitroanilide, 4-amino-5-(4-nitroanilino)-5-oxopentanoic acid, 4-amino-5-(4-nitroanilino)-5-oxo-pentanoic acid

CAS Number
1460246-34-7
Molecular Formula
C11H13N3O5
Molecular Weight
267.0855 g/mol
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Technical Specifications

Molecular FormulaC11H13N3O5
Molecular Weight267.0855 g/mol
XLogP-2.4
Topological Polar Surface Area (TPSA)138.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass267.0855 Da
Heavy Atoms19
Complexity347.0
SMILESC1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)[N+](=O)[O-]
InChIKeyJXQXNQKTUGNZLD-UHFFFAOYSA-N

Chemical Property Profile of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid

XLogP
-2.4
TPSA (Topological Polar Surface Area)
138.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
19
Complexity
347.0
Exact Mass
267.0855
Monoisotopic Mass
267.0855
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 (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid

The XLogP value of -2.4 indicates that (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid. Following Lipinski's Rule of Five, (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic 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 (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid?

The CAS number of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is 1460246-34-7.

What is the molecular formula of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid?

The molecular formula of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is C11H13N3O5.

What is the molecular weight of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid?

The molecular weight of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is 267.0855 g/mol.

Where can I buy (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid?

You can request a quote for (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid?

Yes, CoreyChem provides custom synthesis services for (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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