4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid

C13H24N2O3 — CID 43370667

IUPAC4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCC1CCCC(NC(=O)N(C)CCCC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10-5-3-6-11(9-10)14-13(18)15(2)8-4-7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyREKBCTNDDXPXLG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid

4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid (PubChem CID 43370667) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
PubChem CID43370667
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCC1CCCC(NC(=O)N(C)CCCC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-10-5-3-6-11(9-10)14-13(18)15(2)8-4-7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyREKBCTNDDXPXLG-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Cyclohexylcarbamoyl)amino]butanoic acid
CID 6420119
1-(Cyclohexylcarbamoyl)piperidine-4-carboxylic acid
CID 857246
1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1-[[(1S)-1-(4-fluorocyclohexyl)ethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 164642566
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042828
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044110
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044285
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044286
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 65538324
3-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 105945178

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid (CID 43370667) is 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid is CC1CCCC(NC(=O)N(C)CCCC(=O)O)C1.
What is the InChIKey of 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The InChIKey is REKBCTNDDXPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-5-3-6-11(9-10)14-13(18)15(2)8-4-7-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(3-methylcyclohexyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 43370667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).