(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2 — CID 94093445

IUPAC(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCCCC2CCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-16-10-12(9-13(16)17)14(18)15-8-4-7-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyUTIMQTMQRQHZSD-LBPRGKRZSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds5

About (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94093445) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94093445
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCCCC2CCCC2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-16-10-12(9-13(16)17)14(18)15-8-4-7-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyUTIMQTMQRQHZSD-LBPRGKRZSA-N
XLogP1.55
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 ≤ 51.55
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-(2-cyclopentylsulfanylethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75414529
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
methyl 1-[2-[[1-[2-[[1-(2-cycloheptylethyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 130382477
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 66004114
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-[(3-hydroxycyclopentyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 103280729
(3S)-N-(3-cyclopentylpropyl)-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25379572
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 94093445) is (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)NCCCC2CCCC2)CC1=O.
What is the InChIKey of (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UTIMQTMQRQHZSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-10-12(9-13(16)17)14(18)15-8-4-7-11-5-2-3-6-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94093445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).