(S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid
TL;DR: (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid (CAS 137091-99-7) is a chemical compound with molecular formula C8H10N2O5 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
Also Known As: acpa, (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, 4-(2-amino-2-carboxyethyl)-5-methylisoxazole-3-carboxylic acid, alpha-Amino-3-carboxy-5-methyl-4-isoxazolepropionic acid, alpha-Amino-3-carboxy-5-methylisoxazole-4-propionic acid
| Molecular Formula | C8H10N2O5 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | -0.36438 |
| Topological Polar Surface Area | 126.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.05898 |
| Heavy Atoms | 15 |
| Complexity | 397.73633 |
Chemical Identifiers
| CAS Number | 137091-99-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)CC(C(=O)O)N |
Product Overview
(S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid (CAS 137091-99-7), with molecular formula C8H10N2O5 and molecular weight 214.06 g/mol. IUPAC: 4-(2-amino-2-carboxyethyl)-5-methyl-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid
Property Insights of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid
The XLogP value of -0.36438 indicates that (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid. Following Lipinski's Rule of Five, (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid?
The CAS number of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid is 137091-99-7.
What is the molecular formula of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid?
The molecular formula of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid is C8H10N2O5.
What is the molecular weight of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid?
The molecular weight of (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid is 214.06 g/mol.
Where can I buy (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid?
You can request a quote for (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Amino-3-(3-carboxy-5-methylisoxazol-4-YL)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.