| CAS Number | 75176-22-6 |
| Catalog Number | AG01BKA7(AGN-PC-0OHL7N) |
| Chemical Name | (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1 |
| InChI Key | RNXKXUOGQKYKTH-WHFBIAKZSA-N |
| MDL Number | MFCD19218169 |
| Molecular Formula | C6H11NO3 |
| Molecular Weight | 145.1564 |
| SMILES | CO[C@H]1C[C@@H](C(O)=O)NC1 |
| Synonyms | (2S,4S)-4-methoxypyrrolidine-2-carboxylic acid,
75176-22-6,
L-Proline, 4-methoxy-, (4S)-,
cis-4-methoxy-L-proline,
SCHEMBL1269918,
RNXKXUOGQKYKTH-WHFBIAKZSA-N,
ZINC14507953,
AKOS006353411,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.158g/mol |
| Monoisotopic Mass | 145.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number