(1-氨甲酰甲基)丙烯酸
TL;DR: (1-氨甲酰甲基)丙烯酸 (CAS 54468-53-0) is a chemical compound with molecular formula C5H7NO3 and molecular weight 129.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-氨甲酰甲基)丙烯酸
4-amino-2-methylidene-4-oxobutanoic acid
Also Known As: itaconamic acid, (1-Carbamoylmethyl)acrylic acid, 3-carboxy-3-butenamide, 2-methylenesuccinamic acid, 2-Methylenesuccinamidic acid
| Molecular Formula | C5H7NO3 |
|---|---|
| Molecular Weight | 129.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.04259 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 54468-53-0 |
|---|---|
| SMILES | C=C(CC(=O)N)C(=O)O |
| InChIKey | JRXNBYBCTNEZQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-氨甲酰甲基)丙烯酸 (CAS 54468-53-0), with molecular formula C5H7NO3 and molecular weight 129.04 g/mol. IUPAC: 4-amino-2-methylidene-4-oxobutanoic acid.
Chemical Property Profile of (1-氨甲酰甲基)丙烯酸
Property Insights of (1-氨甲酰甲基)丙烯酸
The XLogP value of -0.8 indicates that (1-氨甲酰甲基)丙烯酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-氨甲酰甲基)丙烯酸. Following Lipinski's Rule of Five, (1-氨甲酰甲基)丙烯酸 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 (1-氨甲酰甲基)丙烯酸?
The CAS number of (1-氨甲酰甲基)丙烯酸 is 54468-53-0.
What is the molecular formula of (1-氨甲酰甲基)丙烯酸?
The molecular formula of (1-氨甲酰甲基)丙烯酸 is C5H7NO3.
What is the molecular weight of (1-氨甲酰甲基)丙烯酸?
The molecular weight of (1-氨甲酰甲基)丙烯酸 is 129.04 g/mol.
Where can I buy (1-氨甲酰甲基)丙烯酸?
You can request a quote for (1-氨甲酰甲基)丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-氨甲酰甲基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for (1-氨甲酰甲基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.