(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide

C18H24N2O3 — CID 56959819

IUPAC(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCC1CCCC1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c21-16(19-12-10-14-6-4-5-7-14)18(23)11-13-20(17(18)22)15-8-2-1-3-9-15/h1-3,8-9,14,23H,4-7,10-13H2,(H,19,21)/t18-/m0/s1
InChIKeyGLQVGHCZPIKTMC-SFHVURJKSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds5

About (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 56959819) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID56959819
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCC1CCCC1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H24N2O3/c21-16(19-12-10-14-6-4-5-7-14)18(23)11-13-20(17(18)22)15-8-2-1-3-9-15/h1-3,8-9,14,23H,4-7,10-13H2,(H,19,21)/t18-/m0/s1
InChIKeyGLQVGHCZPIKTMC-SFHVURJKSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(3-chlorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959669
(3S)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959670
(3S)-N-benzyl-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959817
(3S)-N-[(3,5-difluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960816
(3S)-3-hydroxy-N-[(3-methylphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 89893217
(3S)-N-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 89893284
(3S)-N-[(2-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 89893288
N-cyclopentyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2986062
N-cyclopentyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497289
(3S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 89893318
N-(3-(Dimethylamino)propyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
CID 217787
N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3136507

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 56959819) is (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCC1CCCC1)[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GLQVGHCZPIKTMC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(19-12-10-14-6-4-5-7-14)18(23)11-13-20(17(18)22)15-8-2-1-3-9-15/h1-3,8-9,14,23H,4-7,10-13H2,(H,19,21)/t18-/m0/s1.
What are the key properties of (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-cyclopentylethyl)-3-hydroxy-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56959819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).