beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester
TL;DR: beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester (CAS 108278-74-6) is a chemical compound with molecular formula C5H9N3O4 and molecular weight 175.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[carbamoyl(nitroso)amino]propanoate
Also Known As: N-Methoxycarbonylethyl-N-nitrosourea, N-(2-Methoxycarbonylethyl)-N-nitrosourea, methyl 3-[carbamoyl(nitroso)amino]propanoate, beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester, CCRIS 1860
Technical Specifications
| Molecular Formula | C5H9N3O4 |
| Molecular Weight | 175.05931 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.05931 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | COC(=O)CCN(C(=O)N)N=O |
| InChIKey | ZRDOTEYZIOYDLO-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester
Property Insights of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester
The XLogP value of -0.8 indicates that beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester?
The CAS number of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester is 108278-74-6.
What is the molecular formula of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester?
The molecular formula of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester is C5H9N3O4.
What is the molecular weight of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester?
The molecular weight of beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester is 175.05931 g/mol.
Where can I buy beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester?
You can request a quote for beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-(aminocarbonyl)-N-nitroso-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.