2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid

C14H26N2O3 — CID 79800820

IUPAC2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)C1CCCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(3,12(17)18)15-13(19)16(4)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyVNFZUIUJWGHXJR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds4

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

2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid (PubChem CID 79800820) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
PubChem CID79800820
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)C1CCCC(C)C1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-14(3,12(17)18)15-13(19)16(4)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyVNFZUIUJWGHXJR-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043737
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
2-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 80541792
5-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848247
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid (CID 79800820) is 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid is CCC(C)(NC(=O)N(C)C1CCCC(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The InChIKey is VNFZUIUJWGHXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(3,12(17)18)15-13(19)16(4)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid?
2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).