![(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid structure](/static/products/964/96449-91-1.png)
(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
TL;DR: (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CAS 96449-91-1) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid, (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 96449-91-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)O |
| InChIKey | NBQXYAJLUDQSNV-NSHDSACASA-N |
Product Overview
(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CAS 96449-91-1), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
Property Insights of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is 96449-91-1.
What is the molecular formula of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is C13H15NO3.
What is the molecular weight of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is 233.11 g/mol.
Where can I buy (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.