N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C17H31N3O2 — CID 119597802

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-16(22)13-8-15(21)20(10-13)14-6-4-5-7-14/h12-14H,4-11,18H2,1-3H3,(H,19,22)
InChIKeyBVLZRHCHKYCFCW-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119597802) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119597802
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-16(22)13-8-15(21)20(10-13)14-6-4-5-7-14/h12-14H,4-11,18H2,1-3H3,(H,19,22)
InChIKeyBVLZRHCHKYCFCW-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
1-cyclopentyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3238541
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
1-cyclohexyl-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 3243689
1-cyclohexyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 4324334
1-cyclopentyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 4531782
N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3331193
N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 4089215
1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 4571953
N-cyclohexyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5162009
N-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-2-methylpropanamide
CID 53016341

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 119597802) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is CC(C)CC(C)(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BVLZRHCHKYCFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(2)9-17(3,11-18)19-16(22)13-8-15(21)20(10-13)14-6-4-5-7-14/h12-14H,4-11,18H2,1-3H3,(H,19,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119597802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).