2-(4-cyclohexylbutanoylamino)hexanoic acid

C16H29NO3 — CID 43387726

IUPAC2-(4-cyclohexylbutanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCCC1CCCCC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-3-11-14(16(19)20)17-15(18)12-7-10-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyACRKXFIYGLNYIX-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.50
Rot. Bonds9

About 2-(4-cyclohexylbutanoylamino)hexanoic acid

2-(4-cyclohexylbutanoylamino)hexanoic acid (PubChem CID 43387726) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(4-cyclohexylbutanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(4-cyclohexylbutanoylamino)hexanoic acid
PubChem CID43387726
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(4-cyclohexylbutanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCCC1CCCCC1)C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-3-11-14(16(19)20)17-15(18)12-7-10-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20)
InChIKeyACRKXFIYGLNYIX-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
2-[(2-cyclopentylacetyl)amino]hexanoic acid
CID 60657212
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
(2S)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]hexanoic acid
CID 107144381

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutanoylamino)hexanoic acid?
The IUPAC name of 2-(4-cyclohexylbutanoylamino)hexanoic acid (CID 43387726) is 2-(4-cyclohexylbutanoylamino)hexanoic acid.
What is the SMILES notation for 2-(4-cyclohexylbutanoylamino)hexanoic acid?
The canonical SMILES for 2-(4-cyclohexylbutanoylamino)hexanoic acid is CCCCC(NC(=O)CCCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(4-cyclohexylbutanoylamino)hexanoic acid?
The InChIKey is ACRKXFIYGLNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-11-14(16(19)20)17-15(18)12-7-10-13-8-5-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-cyclohexylbutanoylamino)hexanoic acid?
2-(4-cyclohexylbutanoylamino)hexanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutanoylamino)hexanoic acid is sourced from PubChem (CID 43387726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).