(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C20H22N2O3 — CID 9004996

IUPAC(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O3/c1-14(15-8-4-3-5-9-15)21-20(24)16-12-19(23)22(13-16)17-10-6-7-11-18(17)25-2/h3-11,14,16H,12-13H2,1-2H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyGCSPYTUSGOCHLM-ZBFHGGJFSA-N
MW338.41 g/mol
LogP2.93
Rot. Bonds5

About (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 9004996) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID9004996
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O
InChIInChI=1S/C20H22N2O3/c1-14(15-8-4-3-5-9-15)21-20(24)16-12-19(23)22(13-16)17-10-6-7-11-18(17)25-2/h3-11,14,16H,12-13H2,1-2H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyGCSPYTUSGOCHLM-ZBFHGGJFSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 78775658
methyl 2-[2-oxo-4-(1-phenylethylcarbamoyl)pyrrolidin-1-yl]benzoate
CID 113189141
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627
1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113187102
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-methoxyphenyl)-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 24624530
1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 4900418
1-(4-methoxyphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 4714649
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 26882760
methyl (2R)-2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate
CID 42569429

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 9004996) is (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is GCSPYTUSGOCHLM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-8-4-3-5-9-15)21-20(24)16-12-19(23)22(13-16)17-10-6-7-11-18(17)25-2/h3-11,14,16H,12-13H2,1-2H3,(H,21,24)/t14-,16+/m1/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9004996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).