Methyl 2-carbamoylacetate
TL;DR: Methyl 2-carbamoylacetate (CAS 51513-29-2) is a chemical compound with molecular formula C4H7NO3 and molecular weight 117.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-3-oxopropanoate
Also Known As: methyl 3-amino-3-oxopropanoate, Methyl Malonamate, Methyl carbamoylacetate, Methyl malonate monoamide, Methyl 2-carbamoylacetate
| Molecular Formula | C4H7NO3 |
|---|---|
| Molecular Weight | 117.04 g/mol |
| LogP | -0.9652 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.042595 |
| Heavy Atoms | 8 |
| Complexity | 109.85105 |
Chemical Identifiers
| CAS Number | 51513-29-2 |
|---|---|
| SMILES | COC(=O)CC(=O)N |
Product Overview
Methyl 2-carbamoylacetate (CAS 51513-29-2), with molecular formula C4H7NO3 and molecular weight 117.04 g/mol. IUPAC: methyl 3-amino-3-oxopropanoate.
Chemical Property Profile of Methyl 2-carbamoylacetate
Property Insights of Methyl 2-carbamoylacetate
The XLogP value of -0.9652 indicates that Methyl 2-carbamoylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-carbamoylacetate. Following Lipinski's Rule of Five, Methyl 2-carbamoylacetate 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 Methyl 2-carbamoylacetate?
The CAS number of Methyl 2-carbamoylacetate is 51513-29-2.
What is the molecular formula of Methyl 2-carbamoylacetate?
The molecular formula of Methyl 2-carbamoylacetate is C4H7NO3.
What is the molecular weight of Methyl 2-carbamoylacetate?
The molecular weight of Methyl 2-carbamoylacetate is 117.04 g/mol.
Where can I buy Methyl 2-carbamoylacetate?
You can request a quote for Methyl 2-carbamoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-carbamoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-carbamoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.