(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

C20H22N2O2 — CID 7101898

IUPAC(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(17-10-6-3-7-11-17)21-20(24)18-12-13-19(23)22(18)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyKGOFKCILZHZVDV-MAUKXSAKSA-N
MW322.41 g/mol
LogP3.06
Rot. Bonds5

About (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 7101898) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID7101898
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(17-10-6-3-7-11-17)21-20(24)18-12-13-19(23)22(18)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)/t15-,18+/m0/s1
InChIKeyKGOFKCILZHZVDV-MAUKXSAKSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
CID 110410559
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
1-benzyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxopyrrolidine-2-carboxamide
CID 110628575
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
1-benzyl-N-[3,4-dioxo-1-phenyl-4-(propan-2-yloxyamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 53257551
ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide (CID 7101898) is (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide is C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is KGOFKCILZHZVDV-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(17-10-6-3-7-11-17)21-20(24)18-12-13-19(23)22(18)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,24)/t15-,18+/m0/s1.
What are the key properties of (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide?
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7101898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).