2-(2-cyclohexylethylcarbamoylamino)hexanoic acid

C15H28N2O3 — CID 61206108

IUPAC2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-3-9-13(14(18)19)17-15(20)16-11-10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCSGPAJGSSFTIJC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.90
Rot. Bonds8

About 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid

2-(2-cyclohexylethylcarbamoylamino)hexanoic acid (PubChem CID 61206108) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
PubChem CID61206108
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
SMILESCCCCC(NC(=O)NCCC1CCCCC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-2-3-9-13(14(18)19)17-15(20)16-11-10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCSGPAJGSSFTIJC-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
2-(4-cyclohexylbutanoylamino)hexanoic acid
CID 43387726
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid?
The IUPAC name of 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid (CID 61206108) is 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid is CCCCC(NC(=O)NCCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid?
The InChIKey is CSGPAJGSSFTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-3-9-13(14(18)19)17-15(20)16-11-10-12-7-5-4-6-8-12/h12-13H,2-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid?
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).