| CAS Number | 1260604-09-8 |
| Catalog Number | AG01DV50(AGN-PC-0WNP4E) |
| Chemical Name | (S)-3-TERT-BUTOXYCARBONYLAMINO-3-CYCLOPROPYL-PROPIONIC ACID |
| IUPAC Name | (3S)-3-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(6-9(13)14)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t8-/m0/s1 |
| InChI Key | VGEUFFPHZNVSKU-QMMMGPOBSA-N |
| MDL Number | MFCD06228077 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H](CC(=O)O)C1CC1 |
| Synonyms | (S)-3-TERT-BUTOXYCARBONYLAMINO-3-CYCLOPROPYL-PROPIONIC ACID,
1260604-09-8,
SCHEMBL17938534,
ZINC2386293,
AB23552,
AJ-35302,
CS-0055979,
(3S)-3-{[(tert-Butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number