N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119585859

IUPACN-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-11(2)7-13(9-17)18-16(21)12-8-15(20)19(10-12)14-5-3-4-6-14;/h11-14H,3-10,17H2,1-2H3,(H,18,21);1H
InChIKeyIJCLZQGXHIASFP-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.69
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119585859) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119585859
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-11(2)7-13(9-17)18-16(21)12-8-15(20)19(10-12)14-5-3-4-6-14;/h11-14H,3-10,17H2,1-2H3,(H,18,21);1H
InChIKeyIJCLZQGXHIASFP-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
CID 86977195
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119585986
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119597802
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119585859) is N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CC(=O)N(C2CCCC2)C1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IJCLZQGXHIASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-11(2)7-13(9-17)18-16(21)12-8-15(20)19(10-12)14-5-3-4-6-14;/h11-14H,3-10,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119585859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).