4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 60809215

IUPAC4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-4-17(10-11(2)3)14(18)9-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,2,4-10H2,1,3H3,(H,19,20)
InChIKeyCOEFGSZXRCODDB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.64
Rot. Bonds7

About 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809215) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809215
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-4-17(10-11(2)3)14(18)9-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,2,4-10H2,1,3H3,(H,19,20)
InChIKeyCOEFGSZXRCODDB-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810375
4-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79261780
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
4-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]cyclohexane-1-carboxylic acid
CID 121929332
4-[[1-(3-Methylbutanoyl)pyrrolidin-2-yl]methylamino]cyclohexane-1-carboxylic acid
CID 20738225
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]cyclohexane-1-carboxylic acid
CID 22880349
4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60092142
4-(2-Methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 60809665
4-[2-(Dimethylamino)ethylamino]cyclohexane-1-carboxylic acid
CID 60809881
4-(Propanoylamino)cyclohexane-1-carboxylic acid
CID 60810166
4-[(1-Propanoylpyrrolidin-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 71207305
4-[[(2S)-3-methyl-2-(propanoylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 89881152

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60809215) is 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is C=C(C)CN(CC)C(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is COEFGSZXRCODDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-17(10-11(2)3)14(18)9-16-13-7-5-12(6-8-13)15(19)20/h12-13,16H,2,4-10H2,1,3H3,(H,19,20).
What are the key properties of 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).