| CAS Number | 61884-75-1 |
| Catalog Number | AG00IAXM(AGN-PC-0ODJ5L) |
| Chemical Name | (S)-2-(5-Oxopyrrolidin-2-yl)acetic acid |
| IUPAC Name | 2-[(2S)-5-oxopyrrolidin-2-yl]acetic acid |
| InChI | InChI=1S/C6H9NO3/c8-5-2-1-4(7-5)3-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)/t4-/m0/s1 |
| InChI Key | LRKCFWRBMYJRIK-BYPYZUCNSA-N |
| MDL Number | MFCD19690753 |
| Molecular Formula | C6H9NO3 |
| Molecular Weight | 143.1406 |
| SMILES | N1[C@@H](CCC1=O)CC(O)=O |
| Synonyms | 61884-75-1,
(S)-2-(5-Oxopyrrolidin-2-yl)acetic acid,
[(2S)-5-Oxopyrrolidin-2-yl]acetic acid,
SCHEMBL9621834,
DTXSID00518498,
ZINC5188208,
ZX-CM010814,
(S)-5-Oxo-2-pyrrolidineacetic acid,
MFCD19690753,
AKOS016014663,
FCH3459780,
AJ-53529,
[(2S)-5-Oxo-2-pyrrolidinyl]acetic acid,
2-Pyrrolidineacetic acid, 5-oxo-, (S)-,
AX8251889,
[(2S)-5-Oxo-2alpha-pyrrolidinyl]acetic acid,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.142g/mol |
| Monoisotopic Mass | 143.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number