2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid

C15H24N2O3 — CID 63297334

IUPAC2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESN#CCCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H24N2O3/c16-9-5-2-6-10-17-13(18)11-15(12-14(19)20)7-3-1-4-8-15/h1-8,10-12H2,(H,17,18)(H,19,20)
InChIKeyORLIZQBASWWVOY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.61
Rot. Bonds8

About 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 63297334) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID63297334
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESN#CCCCCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H24N2O3/c16-9-5-2-6-10-17-13(18)11-15(12-14(19)20)7-3-1-4-8-15/h1-8,10-12H2,(H,17,18)(H,19,20)
InChIKeyORLIZQBASWWVOY-UHFFFAOYSA-N
XLogP2.61
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
1-[2-(3-cyanopropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62667350
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
1-[2-(2-cyanoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867554
2-[1-[2-[[2-[4-(diethylamino)butylamino]-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 143157350
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 63297334) is 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid is N#CCCCCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is ORLIZQBASWWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-9-5-2-6-10-17-13(18)11-15(12-14(19)20)7-3-1-4-8-15/h1-8,10-12H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 63297334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).