| CAS Number | 171077-04-6 |
| Catalog Number | AG00AXC6(AGN-PC-0N2O36) |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)but-3-enoic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid |
| InChI | InChI=1S/C9H15NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h5-6H,1H2,2-4H3,(H,10,13)(H,11,12) |
| InChI Key | BYHZVVBUNVWRGH-UHFFFAOYSA-N |
| MDL Number | MFCD02682489 |
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.2197 |
| SMILES | O=C(OC(C)(C)C)NC(C=C)C(=O)O |
| Synonyms | 171077-04-6,
2-((tert-Butoxycarbonyl)amino)but-3-enoic acid,
(S)-2-((tert-Butoxycarbonyl)amino)but-3-enoic acid,
SCHEMBL6291036,
BYHZVVBUNVWRGH-UHFFFAOYSA-N,
MFCD02682489,
AKOS022646700,
n-(tert-butoxycarbonyl)-2-vinylglycine,
2-[(t-Butoxycarbonyl)amino]-3-butenoic acid,
2-[(tert-butoxycarbonyl)amino]-3-butenoic acid,
3-Butenoicacid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-(9CI),
CID10352786,
2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic Acid,
3-Butenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI),
91028-39-6,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.222g/mol |
| Monoisotopic Mass | 201.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number