2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid

C14H25NO3 — CID 79806291

IUPAC2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-14(4-2,13(17)18)15-12(16)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHXQWFJHXLNDYMC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds6

About 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid

2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid (PubChem CID 79806291) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
PubChem CID79806291
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-14(4-2,13(17)18)15-12(16)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHXQWFJHXLNDYMC-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic 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

N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
2-(cyclobutylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804222
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid (CID 79806291) is 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid?
The InChIKey is HXQWFJHXLNDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-14(4-2,13(17)18)15-12(16)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid?
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 79806291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).