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(2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid structure
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(2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid

TL;DR: (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid (CAS 111727-88-9) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid

Also Known As: 2-(4-(hydroxymethyl)benzamido)propanoic acid, (2R)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic Acid, (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid

CAS Number
111727-88-9
Molecular Formula
C11H13NO4
Molecular Weight
223.08446 g/mol
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Technical Specifications

Molecular FormulaC11H13NO4
Molecular Weight223.08446 g/mol
XLogP0.3
Topological Polar Surface Area (TPSA)86.6 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass223.08446 Da
Heavy Atoms16
Complexity259.0
SMILESC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CO
InChIKeyGDCDHVBHYJUAQG-ZETCQYMHSA-N

Chemical Property Profile of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid

XLogP
0.3
TPSA (Topological Polar Surface Area)
86.6
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
16
Complexity
259.0
Exact Mass
223.08446
Monoisotopic Mass
223.08446
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)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid

The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid has 3 hydrogen bond donor(s) and 4 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)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid?

The CAS number of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is 111727-88-9.

What is the molecular formula of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid?

The molecular formula of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is C11H13NO4.

What is the molecular weight of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid?

The molecular weight of (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid is 223.08446 g/mol.

Where can I buy (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid?

You can request a quote for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid?

Yes, CoreyChem provides custom synthesis services for (2S)-2-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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