2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid

C15H28N2O3 — CID 65266273

IUPAC2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCC1CCCCC1NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10-8-6-7-9-11(10)16-13(20)17-15(4,5)14(2,3)12(18)19/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyHABAHFKFMYEQPA-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds4

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

2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid (PubChem CID 65266273) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
PubChem CID65266273
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
SMILESCC1CCCCC1NC(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10-8-6-7-9-11(10)16-13(20)17-15(4,5)14(2,3)12(18)19/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)
InChIKeyHABAHFKFMYEQPA-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]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-methyl-2-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 79801007
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
2-methyl-2-[(2-methylcyclobutyl)carbamoylamino]propanoic acid
CID 127019287
3-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266274
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 103928020
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea
CID 111503873

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid (CID 65266273) is 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid is CC1CCCCC1NC(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid?
The InChIKey is HABAHFKFMYEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-8-6-7-9-11(10)16-13(20)17-15(4,5)14(2,3)12(18)19/h10-11H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 65266273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).