| CAS Number | 59834-40-1 |
| Catalog Number | AG00F2F9(AGN-PC-0OCZID) |
| Chemical Name | 1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S)-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c14-10(8-3-5-12-6-4-8)13-7-1-2-9(13)11(15)16/h3-6,9H,1-2,7H2,(H,15,16)/t9-/m0/s1 |
| InChI Key | HWSJOJYQNWMORF-VIFPVBQESA-N |
| MDL Number | MFCD09757455 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | OC(C1N(C(C2=CC=NC=C2)=O)CCC1)=O |
| Synonyms | N-(Pyridine-4-carbonyl)-L-proline,
59834-40-1,
1-ISONICOTINOYLPROLINE,
L-Proline, 1-(4-pyridinylcarbonyl)-,
Isonicotinylproline,
SCHEMBL4893199,
CTK1E6418,
DTXSID80651695,
1-(Pyridine-4-carbonyl)-L-proline,
MFCD09757455,
ZINC20284895,
AKOS010372498,
AKOS015839464,
AJ-76918,
TR-066027,
P67202,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number