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

C17H21ClN2O4 — CID 97040001

IUPAC(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@H](O)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O4/c18-12-1-3-14(4-2-12)20-8-10(6-16(20)23)17(24)19-13-5-11(9-21)15(22)7-13/h1-4,10-11,13,15,21-22H,5-9H2,(H,19,24)/t10-,11+,13-,15+/m0/s1
InChIKeyHLTHMYHYLYNXAR-YODMDTAWSA-N
MW352.82 g/mol
LogP0.94
Rot. Bonds4

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

(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97040001) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97040001
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@H](O)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H21ClN2O4/c18-12-1-3-14(4-2-12)20-8-10(6-16(20)23)17(24)19-13-5-11(9-21)15(22)7-13/h1-4,10-11,13,15,21-22H,5-9H2,(H,19,24)/t10-,11+,13-,15+/m0/s1
InChIKeyHLTHMYHYLYNXAR-YODMDTAWSA-N
XLogP0.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97039990
(3R)-N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124813851
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
ethyl 4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47051761
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
CID 108800085
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide (CID 97040001) is (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide is O=C(N[C@H]1C[C@H](CO)[C@H](O)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HLTHMYHYLYNXAR-YODMDTAWSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c18-12-1-3-14(4-2-12)20-8-10(6-16(20)23)17(24)19-13-5-11(9-21)15(22)7-13/h1-4,10-11,13,15,21-22H,5-9H2,(H,19,24)/t10-,11+,13-,15+/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97040001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).