| CAS Number | 428518-31-4 |
| Catalog Number | AG00D7VH(AGN-PC-0OACPD) |
| Chemical Name | 3-Pyrrolidinecarboxylicacid,5-oxo-,methylester,(3S)-(9CI) |
| IUPAC Name | methyl (3S)-5-oxopyrrolidine-3-carboxylate |
| InChI | InChI=1S/C6H9NO3/c1-10-6(9)4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1 |
| InChI Key | FJRTVLWHONLTLA-BYPYZUCNSA-N |
| MDL Number | MFCD13194686 |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| SMILES | COC(=O)[C@@H]1CNC(=O)C1 |
| Synonyms | (S)-Methyl 5-oxopyrrolidine-3-carboxylate,
428518-31-4,
ZINC8698452,
MFCD13194686,
AKOS006356841,
SB16227,
AJ-58083,
CJ-13427,
CS-0038415,
5-Oxopyrrolidine-3beta-carboxylic acid methyl ester,
METHYL (3S)-5-OXOPYRROLIDINE-3-CARBOXYLATE,
3-Pyrrolidinecarboxylicacid,5-oxo-,methylester,(3S)-(9CI),
methyl 5-oxopyrrolidine-3-carboxylate,
3-Pyrrolidinecarboxylic acid, 5-oxo-, methyl ester, (3S)- (9CI),
35309-35-4,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.142g/mol |
| Monoisotopic Mass | 143.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number