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

C16H26N2O4 — CID 119209014

IUPAC2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC1CCC(N2CC(C(=O)N(C)C(C)C(=O)O)CC2=O)CC1
InChIInChI=1S/C16H26N2O4/c1-10-4-6-13(7-5-10)18-9-12(8-14(18)19)15(20)17(3)11(2)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22)
InChIKeyFDCGYNDWRLLBRV-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.35
Rot. Bonds4

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

2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 119209014) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID119209014
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC1CCC(N2CC(C(=O)N(C)C(C)C(=O)O)CC2=O)CC1
InChIInChI=1S/C16H26N2O4/c1-10-4-6-13(7-5-10)18-9-12(8-14(18)19)15(20)17(3)11(2)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22)
InChIKeyFDCGYNDWRLLBRV-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.35
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-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99805772
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209447
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 119209014) is 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is CC1CCC(N2CC(C(=O)N(C)C(C)C(=O)O)CC2=O)CC1.
What is the InChIKey of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is FDCGYNDWRLLBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10-4-6-13(7-5-10)18-9-12(8-14(18)19)15(20)17(3)11(2)16(21)22/h10-13H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 310.39 g/mol, XLogP of 1.35, 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]propanoic acid is sourced from PubChem (CID 119209014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).