1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

C18H17NO3 — CID 4025878

IUPAC1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccccc2)C1c1ccccc1
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)
InChIKeyDKXRDFRRCPUUKU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.86
Rot. Bonds4

About 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid

1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 4025878) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID4025878
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccccc2)C1c1ccccc1
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)
InChIKeyDKXRDFRRCPUUKU-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
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)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 102275849
(2R,3S)-5-oxo-2-phenyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95311589
(1R,2R,6S)-3-benzyl-2-phenyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 101377362
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
(2S,3S)-1-(2-morpholin-4-ylethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217776

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid (CID 4025878) is 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is DKXRDFRRCPUUKU-UHFFFAOYSA-N. 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).
What are the key properties of 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid?
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 4025878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).