Tert-butyl 2-amino-3-carbamoylpropanoate
TL;DR: Tert-butyl 2-amino-3-carbamoylpropanoate (CAS 791775-45-6) is a chemical compound with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,4-diamino-4-oxobutanoate
Also Known As: H-Asn-OtBu, L-Asparagine tert-butyl ester, L-Asparagine tert.butyl ester, TERT-BUTYL 2-AMINO-3-CARBAMOYLPROPANOATE, tert-butyl 2,4-diamino-4-oxobutanoate
| Molecular Formula | C8H16N2O3 |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.11609 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 791775-45-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC(=O)N)N |
| InChIKey | VLLGKVRQXXHELH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-amino-3-carbamoylpropanoate (CAS 791775-45-6), with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol. IUPAC: tert-butyl 2,4-diamino-4-oxobutanoate.
Chemical Property Profile of Tert-butyl 2-amino-3-carbamoylpropanoate
Property Insights of Tert-butyl 2-amino-3-carbamoylpropanoate
The XLogP value of -0.9 indicates that Tert-butyl 2-amino-3-carbamoylpropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-amino-3-carbamoylpropanoate. Following Lipinski's Rule of Five, Tert-butyl 2-amino-3-carbamoylpropanoate has 2 hydrogen bond donor(s) and 4 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 Tert-butyl 2-amino-3-carbamoylpropanoate?
The CAS number of Tert-butyl 2-amino-3-carbamoylpropanoate is 791775-45-6.
What is the molecular formula of Tert-butyl 2-amino-3-carbamoylpropanoate?
The molecular formula of Tert-butyl 2-amino-3-carbamoylpropanoate is C8H16N2O3.
What is the molecular weight of Tert-butyl 2-amino-3-carbamoylpropanoate?
The molecular weight of Tert-butyl 2-amino-3-carbamoylpropanoate is 188.12 g/mol.
Where can I buy Tert-butyl 2-amino-3-carbamoylpropanoate?
You can request a quote for Tert-butyl 2-amino-3-carbamoylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-amino-3-carbamoylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-amino-3-carbamoylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.