| CAS Number | 712270-40-1 |
| Catalog Number | AG00FXY6(AGN-PC-0WNLM4) |
| Chemical Name | 3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI) |
| IUPAC Name | 1-acetylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11) |
| InChI Key | FEQQMBBBBFVNMN-UHFFFAOYSA-N |
| MDL Number | MFCD17272529 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | CC(N1CC(C(O)=O)CC1)=O |
| Synonyms | 1-acetylpyrrolidine-3-carboxylic acid,
712270-40-1,
1-acetyl-pyrrolidine-3-carboxylic acid,
SCHEMBL3282152,
8559AE,
AKOS012305571,
CCG-211568,
MCULE-5992331860,
NE35556,
(3R)-1-Acetylpyrrolidine-3-carboxylic acid,
(3S)-1-Acetylpyrrolidine-3-carboxylic acid,
3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI),
F8889-5000,
Z1340444601,
1693726-38-3,
1693726-50-9,
C7H11NO3,
3-Pyrrolidinecarboxylicacid,1-acetyl-,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number