2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid

C13H24N2O3 — CID 79801730

IUPAC2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(3,11(16)17)15-12(18)14-10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyCNIXCSFQSPUXOA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds4

About 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid

2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid (PubChem CID 79801730) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
PubChem CID79801730
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)NC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(3,11(16)17)15-12(18)14-10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyCNIXCSFQSPUXOA-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801081
2-[(3,4-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 79801005
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 79800820
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
2-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
2-methyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 103064032
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
(2R)-2-[(3-methylcyclohexyl)carbamoylamino]propanoic acid
CID 78972462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid (CID 79801730) is 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)NC1CCCC(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid?
The InChIKey is CNIXCSFQSPUXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(3,11(16)17)15-12(18)14-10-7-5-6-9(2)8-10/h9-10H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid?
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79801730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).