Valine-pyrrolidide
TL;DR: Valine-pyrrolidide (CAS 115201-28-0) is a chemical compound with molecular formula C9H18N2O and molecular weight 170.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
Also Known As: valine-pyrrolidide, Val-pyrrolidide, 1-valylpyrrolidine, N-L-Valine-pyrrolidide, 1n1m
| Molecular Formula | C9H18N2O |
|---|---|
| Molecular Weight | 170.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.1419 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 115201-28-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N1CCCC1)N |
| InChIKey | IHBAVXVTGLANPI-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valine-pyrrolidide (CAS 115201-28-0), with molecular formula C9H18N2O and molecular weight 170.14 g/mol. IUPAC: (2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one.
Chemical Property Profile of Valine-pyrrolidide
Property Insights of Valine-pyrrolidide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine-pyrrolidide. With a topological polar surface area (TPSA) of 46.3 Ų, Valine-pyrrolidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valine-pyrrolidide has 1 hydrogen bond donor(s) and 2 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 Valine-pyrrolidide?
The CAS number of Valine-pyrrolidide is 115201-28-0.
What is the molecular formula of Valine-pyrrolidide?
The molecular formula of Valine-pyrrolidide is C9H18N2O.
What is the molecular weight of Valine-pyrrolidide?
The molecular weight of Valine-pyrrolidide is 170.14 g/mol.
Where can I buy Valine-pyrrolidide?
You can request a quote for Valine-pyrrolidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valine-pyrrolidide?
Yes, KEHONG BIO provides custom synthesis services for Valine-pyrrolidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.