| CAS Number | 1214822-69-1 |
| Catalog Number | AG019X60(AGN-PC-0WO184) |
| Chemical Name | 2-(2,5-Dimethylpyrrolidin-1-yl)propanoic acid |
| IUPAC Name | 2-(2,5-dimethylpyrrolidin-1-yl)propanoic acid |
| InChI | InChI=1S/C9H17NO2/c1-6-4-5-7(2)10(6)8(3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12) |
| InChI Key | GQOWMXZFHLFMGN-UHFFFAOYSA-N |
| MDL Number | MFCD13196013 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CC(C(O)=O)N1C(C)CCC1C |
| Synonyms | 2-(2,5-dimethylpyrrolidin-1-yl)propanoic acid,
1214822-69-1,
AKOS026726452,
MCULE-9251482063,
NE15727,
EN300-54144,
J3.512.649J,
2-(2,5-Dimethylpyrrolidine-1-yl)propionic acid,
AC1Q2BDY,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.125929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.125929g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number