| CAS Number | 3562-11-6 |
| Catalog Number | AG0039B2(AGN-PC-0O99J8) |
| Chemical Name | 5-(pyridin-3-yl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 5-pyridin-3-ylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7/h1-2,5-6,8-9,12H,3-4H2,(H,13,14) |
| InChI Key | XNFSAICMYCRAOX-UHFFFAOYSA-N |
| MDL Number | MFCD18072995 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | O=C(O)[CH]1NC(C2=CC=CN=C2)CC1 |
| Synonyms | Nornicotine-2-carboxylic Acid,
3562-11-6,
5-(pyridin-3-yl)pyrrolidine-2-carboxylic acid,
5-(3-Pyridyl)proline,
5-Pyridin-3-ylproline,
5-(3-Pyridinyl)proline,
SCHEMBL2460326,
DTXSID70602358,
MFCD18072995,
AKOS022700246,
5-(3-Pyridyl)pyrrolidine-2-carboxylic acid,
FT-0673121,
KS-00000027,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
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Certificate of Analysis
Lot Number