| CAS Number | 146985-51-5 |
| Catalog Number | AG01B75O(AGN-PC-0PZMX7) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-3-yl)propanoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid |
| InChI | InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16) |
| InChI Key | UMXPSJKQFGBTLO-UHFFFAOYSA-N |
| MDL Number | MFCD19066193 |
| Molecular Formula | C11H17N3O4 |
| Molecular Weight | 255.2704 |
| SMILES | CC(OC(NC(C(O)=O)CC1=NNC=C1)=O)(C)C |
| Synonyms | 146985-51-5,
2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrazol-3-yl)propanoic acid,
N-(tert-butoxycarbonyl)-3-pyrazol-3-yl-D,L-alanine,
AKOS013463807,
Z2588063714,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.274g/mol |
| Monoisotopic Mass | 255.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number