1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 115435852

IUPAC1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN1CC(C(=O)NCC2(C(=O)O)CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)12(18)15-9-14(13(19)20)5-3-2-4-6-14/h10H,2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyZDBQSJUJNODUTH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds4

About 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115435852) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115435852
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN1CC(C(=O)NCC2(C(=O)O)CCCCC2)CC1=O
InChIInChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)12(18)15-9-14(13(19)20)5-3-2-4-6-14/h10H,2-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyZDBQSJUJNODUTH-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369448
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
1-methyl-5-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 178032882
(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 96998721
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241
(3S)-N-(3-cyclopentylpropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94093445
4-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541807
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541559
1-[[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544920

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115435852) is 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CN1CC(C(=O)NCC2(C(=O)O)CCCCC2)CC1=O.
What is the InChIKey of 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZDBQSJUJNODUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-16-8-10(7-11(16)17)12(18)15-9-14(13(19)20)5-3-2-4-6-14/h10H,2-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115435852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).