2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

C15H24N2O4 — CID 119172024

IUPAC2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCC1CCC(N2CC(C(=O)N(C)CC(=O)O)CC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-10-3-5-12(6-4-10)17-8-11(7-13(17)18)15(21)16(2)9-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyOTAFHWQJDAYIPK-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds4

About 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 119172024) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID119172024
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCC1CCC(N2CC(C(=O)N(C)CC(=O)O)CC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-10-3-5-12(6-4-10)17-8-11(7-13(17)18)15(21)16(2)9-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20)
InChIKeyOTAFHWQJDAYIPK-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 129365611
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99805772
4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(3R)-N,1-dicyclopropyl-N-(4-ethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 97096733

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (CID 119172024) is 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is CC1CCC(N2CC(C(=O)N(C)CC(=O)O)CC2=O)CC1.
What is the InChIKey of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is OTAFHWQJDAYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10-3-5-12(6-4-10)17-8-11(7-13(17)18)15(21)16(2)9-14(19)20/h10-12H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119172024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).