(2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid
TL;DR: (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid (CAS 1173687-98-3) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid
Also Known As: N-[(1-phenylethyl)carbamoyl]valine, N-[(1-phenylethyl)carbamoyl]-L-valine, ((1-Phenylethyl)carbamoyl)-L-valine, (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid, (2S)-3-METHYL-2-{[(1-PHENYLETHYL)CARBAMOYL]AMINO}BUTANOIC ACID
Technical Specifications
| Molecular Formula | C14H20N2O3 |
| Molecular Weight | 264.1474 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1474 Da |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC(C)C1=CC=CC=C1 |
| InChIKey | OIWORGWTVTYVFD-KFJBMODSSA-N |
Chemical Property Profile of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid
Property Insights of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid has 3 hydrogen bond donor(s) and 3 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)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid?
The CAS number of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid is 1173687-98-3.
What is the molecular formula of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid?
The molecular formula of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid is C14H20N2O3.
What is the molecular weight of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid?
The molecular weight of (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid is 264.1474 g/mol.
Where can I buy (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid?
You can request a quote for (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-3-methyl-2-(1-phenylethylcarbamoylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.