N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C15H27N3O3 — CID 119609306

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NC2CCCCC2CN)CC1=O
InChIInChI=1S/C15H27N3O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-13-5-3-2-4-11(13)9-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyZSWBUIIRKCNDHF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.12
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119609306) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119609306
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NC2CCCCC2CN)CC1=O
InChIInChI=1S/C15H27N3O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-13-5-3-2-4-11(13)9-16/h11-13H,2-10,16H2,1H3,(H,17,20)
InChIKeyZSWBUIIRKCNDHF-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815143
N-[2-(aminomethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119603187
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119611954
N-[2-(aminomethyl)cyclohexyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119612498
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
N-[2-(aminomethyl)cyclopentyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119602492
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
N-(2-amino-2-oxoethoxy)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550970
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568769
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119604994

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 119609306) is N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NC2CCCCC2CN)CC1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZSWBUIIRKCNDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-21-7-6-18-10-12(8-14(18)19)15(20)17-13-5-3-2-4-11(13)9-16/h11-13H,2-10,16H2,1H3,(H,17,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119609306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).