N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C12H21N3O2 — CID 119603187

IUPACN-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCC2CN)CC1=O
InChIInChI=1S/C12H21N3O2/c1-15-7-9(5-11(15)16)12(17)14-10-4-2-3-8(10)6-13/h8-10H,2-7,13H2,1H3,(H,14,17)
InChIKeyDXCREHYJHOGQJG-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.29
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119603187) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119603187
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NC2CCCC2CN)CC1=O
InChIInChI=1S/C12H21N3O2/c1-15-7-9(5-11(15)16)12(17)14-10-4-2-3-8(10)6-13/h8-10H,2-7,13H2,1H3,(H,14,17)
InChIKeyDXCREHYJHOGQJG-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119600923
N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119609306
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119604994
(3S)-N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135311
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119611954
N-(2-fluorooxan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126857056
N-[2-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119602641
N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
N-[2-(aminomethyl)cyclopentyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119604175
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 119603187) is N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NC2CCCC2CN)CC1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DXCREHYJHOGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-7-9(5-11(15)16)12(17)14-10-4-2-3-8(10)6-13/h8-10H,2-7,13H2,1H3,(H,14,17).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).