(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H24N2O4 — CID 97039990

IUPAC(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)CC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-11-2-4-15(5-3-11)20-9-12(7-17(20)23)18(24)19-14-6-13(10-21)16(22)8-14/h2-5,12-14,16,21-22H,6-10H2,1H3,(H,19,24)/t12-,13-,14-,16-/m1/s1
InChIKeyDVPWRLHIJXUIFD-IXYNUQLISA-N
MW332.40 g/mol
LogP0.60
Rot. Bonds4

About (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97039990) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97039990
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)CC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-11-2-4-15(5-3-11)20-9-12(7-17(20)23)18(24)19-14-6-13(10-21)16(22)8-14/h2-5,12-14,16,21-22H,6-10H2,1H3,(H,19,24)/t12-,13-,14-,16-/m1/s1
InChIKeyDVPWRLHIJXUIFD-IXYNUQLISA-N
XLogP0.60
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124813851
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 97040001
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55534644
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97039990) is (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@H](CO)[C@H](O)C3)CC2=O)cc1.
What is the InChIKey of (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DVPWRLHIJXUIFD-IXYNUQLISA-N. The full InChI is InChI=1S/C18H24N2O4/c1-11-2-4-15(5-3-11)20-9-12(7-17(20)23)18(24)19-14-6-13(10-21)16(22)8-14/h2-5,12-14,16,21-22H,6-10H2,1H3,(H,19,24)/t12-,13-,14-,16-/m1/s1.
What are the key properties of (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97039990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).