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

C13H23NO3 — CID 79792659

IUPAC2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-13(2,12(16)17)14-11(15)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDTYNWBZWCUOZTO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds5

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

2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid (PubChem CID 79792659) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
PubChem CID79792659
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-13(2,12(16)17)14-11(15)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyDTYNWBZWCUOZTO-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid (CID 79792659) is 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid?
The InChIKey is DTYNWBZWCUOZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-13(2,12(16)17)14-11(15)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid?
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.33, 5 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-methylbutanoic acid is sourced from PubChem (CID 79792659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).