![2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid structure](/static/products/5065/50654-94-9.webp)
2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid
TL;DR: 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid (CAS 50654-94-9) is a chemical compound with molecular formula C11H17N3O4 and molecular weight 255.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-DL-histidine, Boc-D-His-OH, Boc-His-OH, N-Boc-L-Histidine, Boc-L-Histidine
| Molecular Formula | C11H17N3O4 |
|---|---|
| Molecular Weight | 255.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.1219 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 50654-94-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)O |
| InChIKey | AYMLQYFMYHISQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid (CAS 50654-94-9), with molecular formula C11H17N3O4 and molecular weight 255.12 g/mol. IUPAC: 3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid
Property Insights of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid has 3 hydrogen bond donor(s) and 5 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 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid?
The CAS number of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid is 50654-94-9.
What is the molecular formula of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid?
The molecular formula of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid is C11H17N3O4.
What is the molecular weight of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid?
The molecular weight of 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid is 255.12 g/mol.
Where can I buy 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid?
You can request a quote for 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.