| CAS Number | 827612-77-1 |
| Catalog Number | AG008IP6(AGN-PC-3H453O) |
| Chemical Name | (Phenylcarbamoyl)proline |
| IUPAC Name | (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C12H14N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,17)(H,15,16)/t10-/m0/s1 |
| InChI Key | ZEEAHHXBZHTCOI-JTQLQIEISA-N |
| MDL Number | MFCD00731596 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | OC(C1N(C(NC2=CC=CC=C2)=O)CCC1)=O |
| Synonyms | Proline, 1-[(phenylamino)carbonyl]-,
827612-77-1,
(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid,
AC1LDOHT,
CTK3D6395,
ZINC32133,
DTXSID50350022,
1-(anilinocarbonyl)proline,
CID671077,
SMR000074544,
1-(anilinocarbonyl)pyrrolidine-2-carboxylic acid,
73096-22-7,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number