3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid

C16H29NO3 — CID 82323902

IUPAC3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)C(=O)N(CC(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-13(5-2)15(18)17(11-12(3)16(19)20)14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyWCHXULCRGPNRFC-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.30
Rot. Bonds7

About 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid

3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 82323902) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID82323902
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)C(=O)N(CC(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-13(5-2)15(18)17(11-12(3)16(19)20)14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,20)
InChIKeyWCHXULCRGPNRFC-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
CID 102872769
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid (CID 82323902) is 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid is CCC(CC)C(=O)N(CC(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is WCHXULCRGPNRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-13(5-2)15(18)17(11-12(3)16(19)20)14-9-7-6-8-10-14/h12-14H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid?
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).