| CAS Number | 114200-31-6 |
| Catalog Number | AG01ENN4(AGN-PC-0P5Y1H) |
| Chemical Name | (3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide |
| IUPAC Name | (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C11H18N4O3/c12-9(16)6-15-5-3-8(11(15)18)14-10(17)7-2-1-4-13-7/h7-8,13H,1-6H2,(H2,12,16)(H,14,17)/t7-,8+/m0/s1 |
| InChI Key | QXHVGEXNEZRSGG-JGVFFNPUSA-N |
| MDL Number | MFCD27991290 |
| Molecular Formula | C11H18N4O3 |
| Molecular Weight | 254.2856 |
| SMILES | NC(=O)CN1CC[C@@H](NC(=O)[C@@H]2CCCN2)C1=O |
| Synonyms | 2-oxo-3(R)-((2(S)-pyrrolidinylcarbonyl)amino)-1-pyrrolidineacetamide,
3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide,
3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide, (R-(R*,S*))-isomer,
PAOPA,
PAOPA,
114200-31-6,
(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide,
SCHEMBL165045,
CHEMBL285742,
CHEBI:125499,
ZINC13558821,
AKOS024458469,
BRD-K18573821-001-01-6,
3alpha-(L-Prolylamino)-1-[(aminocarbonyl)methyl]pyrrolidine-2-one,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.29g/mol |
| Monoisotopic Mass | 254.138g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number