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2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid structure
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2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid

TL;DR: 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid (CAS 140939-51-1) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid

Also Known As: 2,2'-diamino-3,3'-o-phenylene-di-propionic acid, 2-amino-3-[2-(2-amino-2-carboxy-ethyl)phenyl]propanoic Acid, 2-amino-3-[2-(2-amino-3-hydroxy-3-oxopropyl)phenyl]propanoic acid

CAS Number
140939-51-1
Molecular Formula
C12H16N2O4
Molecular Weight
252.11101 g/mol
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Technical Specifications

Molecular FormulaC12H16N2O4
Molecular Weight252.11101 g/mol
XLogP-4.7
Topological Polar Surface Area (TPSA)127.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass252.11101 Da
Heavy Atoms18
Complexity278.0
SMILESC1=CC=C(C(=C1)CC(C(=O)O)N)CC(C(=O)O)N
InChIKeyPKBDZWBCXCQRQC-UHFFFAOYSA-N

Chemical Property Profile of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid

XLogP
-4.7
TPSA (Topological Polar Surface Area)
127.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
18
Complexity
278.0
Exact Mass
252.11101
Monoisotopic Mass
252.11101
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-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid

The XLogP value of -4.7 indicates that 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid has 4 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 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid?

The CAS number of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid is 140939-51-1.

What is the molecular formula of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid?

The molecular formula of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid is C12H16N2O4.

What is the molecular weight of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid?

The molecular weight of 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid is 252.11101 g/mol.

Where can I buy 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid?

You can request a quote for 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-Amino-3-[2-(2-amino-2-carboxyethyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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