| Identification | Back Directory | [Name]
1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)- | [CAS]
2411540-29-7 | [Synonyms]
Upadacitinib Impurity 93
(3R,4S)-benzyl 3-acetyl-4-ethylpyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 3-acetyl-4-ethyl-, phenylmethyl ester, (3R,4S)- | [Molecular Formula]
C16H21NO3 | [MOL File]
2411540-29-7.mol | [Molecular Weight]
275.34 |
| Chemical Properties | Back Directory | [Boiling point ]
401.7±45.0 °C(Predicted) | [density ]
1.115±0.06 g/cm3(Predicted) | [pka]
-2.58±0.60(Predicted) | [InChI]
InChI=1S/C16H21NO3/c1-3-14-9-17(10-15(14)12(2)18)16(19)20-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-11H2,1-2H3/t14-,15-/m1/s1 | [InChIKey]
IDAIPNZJYAVREK-HUUCEWRRSA-N | [SMILES]
N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(C)=O)C1 |
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