| CAS Number | 1358799-04-8 |
| Catalog Number | AG01B76F |
| Chemical Name | 4-((tert-Butoxycarbonyl)amino)cyclopent-1-ene-1-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylic acid |
| InChI | InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4,8H,5-6H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | ZHFQKTKVKQBVQF-UHFFFAOYSA-N |
| MDL Number | MFCD24532680 |
| Molecular Formula | C11H17NO4 |
| Molecular Weight | 227.2570 |
| SMILES | C(C)(C)(C)OC(=O)NC1CC=C(C1)C(=O)O |
| Synonyms | 1358799-04-8,
4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylic acid,
SCHEMBL15559191,
AKOS026713593,
MCULE-6722133312,
F1967-2232,
4-((tert-butoxycarbonyl)amino)cyclopent-1-ene-1-carboxylic acid,
(4R)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylic acid,
(4S)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-1-ene-1-carboxylic acid,
1312161-65-1,
1312161-66-2,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.115758g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.115758g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number