N-Methyldehydroalanine
TL;DR: N-Methyldehydroalanine (CAS 90919-83-8) is a chemical compound with molecular formula CNC(=C)C(=O)O and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)prop-2-enoic acid
Also Known As: N-Methyldehydroalanine, 2-(Methylamino)acrylic acid, 2-(methylamino)prop-2-enoic acid, starbld0001661, N-Methyl-Alpha-Beta-Dehydroalanine
| Molecular Formula | CNC(=C)C(=O)O |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 90919-83-8 |
|---|---|
| SMILES | CNC(=C)C(=O)O |
| InChIKey | FLEYLGCAQDCGHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyldehydroalanine (CAS 90919-83-8), with molecular formula CNC(=C)C(=O)O and molecular weight 101.05 g/mol. IUPAC: 2-(methylamino)prop-2-enoic acid.
Chemical Property Profile of N-Methyldehydroalanine
Property Insights of N-Methyldehydroalanine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyldehydroalanine. With a topological polar surface area (TPSA) of 49.3 Ų, N-Methyldehydroalanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyldehydroalanine has 2 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 N-Methyldehydroalanine?
The CAS number of N-Methyldehydroalanine is 90919-83-8.
What is the molecular formula of N-Methyldehydroalanine?
The molecular formula of N-Methyldehydroalanine is CNC(=C)C(=O)O.
What is the molecular weight of N-Methyldehydroalanine?
The molecular weight of N-Methyldehydroalanine is 101.05 g/mol.
Where can I buy N-Methyldehydroalanine?
You can request a quote for N-Methyldehydroalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyldehydroalanine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyldehydroalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.