(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate

C18H16NO3- — CID 7784530

IUPAC(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-11-15(18(21)22)17(14-9-5-2-6-10-14)19(16)12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,21,22)/p-1/t15-,17-/m1/s1
InChIKeyDKXRDFRRCPUUKU-NVXWUHKLSA-M
MW294.33 g/mol
LogP1.53
Rot. Bonds4

About (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate

(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (PubChem CID 7784530) has the molecular formula C18H16NO3- and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
PubChem CID7784530
Molecular FormulaC18H16NO3-
Molecular Weight294.33 g/mol
Exact Mass294.11
IUPAC Name(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-11-15(18(21)22)17(14-9-5-2-6-10-14)19(16)12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,21,22)/p-1/t15-,17-/m1/s1
InChIKeyDKXRDFRRCPUUKU-NVXWUHKLSA-M
XLogP1.53
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 102275849
(1R,2R,6S)-3-benzyl-2-phenyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 101377362
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
(2R,3R)-1-(2-hydroxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 125421430
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate (CID 7784530) is (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
The InChIKey is DKXRDFRRCPUUKU-NVXWUHKLSA-M. The full InChI is InChI=1S/C18H17NO3/c20-16-11-15(18(21)22)17(14-9-5-2-6-10-14)19(16)12-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2,(H,21,22)/p-1/t15-,17-/m1/s1.
What are the key properties of (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate?
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 7784530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).