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

C19H27N3O2 — CID 119567430

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC3(CN)CCCC3)CC2=O)c1C
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)22-11-15(10-17(22)23)18(24)21-19(12-20)8-3-4-9-19/h5-7,15H,3-4,8-12,20H2,1-2H3,(H,21,24)
InChIKeyWSENVWGLUXGMBK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds4

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

N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119567430) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119567430
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC3(CN)CCCC3)CC2=O)c1C
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)22-11-15(10-17(22)23)18(24)21-19(12-20)8-3-4-9-19/h5-7,15H,3-4,8-12,20H2,1-2H3,(H,21,24)
InChIKeyWSENVWGLUXGMBK-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566446
N-[3-(aminomethyl)pentan-3-yl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119571084
N-[1-(aminomethyl)cyclopentyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119566358
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
N-[1-(aminomethyl)cyclopentyl]-5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119565139
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119565864
(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 119567430) is N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NC3(CN)CCCC3)CC2=O)c1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WSENVWGLUXGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)22-11-15(10-17(22)23)18(24)21-19(12-20)8-3-4-9-19/h5-7,15H,3-4,8-12,20H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119567430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).