(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2 — CID 7030805

IUPAC(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyQAZXSKSVCWBMDW-NSHDSACASA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds5

About (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 7030805) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID7030805
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyQAZXSKSVCWBMDW-NSHDSACASA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 95283558
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 7030805) is (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QAZXSKSVCWBMDW-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-8-15-14(18)11-9-13(17)16(10-11)12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7030805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).