1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C13H22N2O2 — CID 110687444

IUPAC1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)7-14-13(17)10-6-12(16)15(8-10)11-4-3-5-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyPDHKHSHIRHZYBM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds4

About 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110687444) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110687444
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)7-14-13(17)10-6-12(16)15(8-10)11-4-3-5-11/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKeyPDHKHSHIRHZYBM-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3R)-1-cyclopentyl-N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 124856375
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167044
(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 99774273
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-amino-2-methylpropyl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997130
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 110687444) is 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CC(=O)N(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PDHKHSHIRHZYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)7-14-13(17)10-6-12(16)15(8-10)11-4-3-5-11/h9-11H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110687444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).