| CAS Number | 1649999-70-1 |
| Catalog Number | AG01BJDS |
| Chemical Name | 1-Isopropylproline |
| IUPAC Name | 1-propan-2-ylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11) |
| InChI Key | CKPAOPWAVKSUPQ-UHFFFAOYSA-N |
| MDL Number | MFCD11053661 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.2102 |
| SMILES | CC(N1C(C(O)=O)CCC1)C |
| Synonyms | 1-ISOPROPYLPROLINE,
1-Isopropyl-pyrrolidine-2-carboxylic acid,
1-isopropylpyrrolidine-2-carboxylic acid,
1649999-70-1,
L-Proline,1-(1-methylethyl)-,
proline, 1-(1-methylethyl)-,
SCHEMBL1432340,
ALBB-012401,
AKOS004910726,
VZ21502,
AS-37942,
AB0076555,
BB 0240989,
1-(propan-2-yl)pyrrolidine-2-carboxylic acid,
(2S)-1-propan-2-ylpyrrolidine-2-carboxylic acid,
T1393,
(S)-1-Isopropylpyrrolidine-2-carboxylic acid,
342793-00-4,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.213g/mol |
| Monoisotopic Mass | 157.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number