1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

C13H22N2O4 — CID 43402208

IUPAC1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCCNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-10(16)14-7-8-15-11(17)9-13(12(18)19)5-3-2-4-6-13/h2-9H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYBVPKVJLJXZMLX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds6

About 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43402208) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43402208
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NCCNC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-10(16)14-7-8-15-11(17)9-13(12(18)19)5-3-2-4-6-13/h2-9H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYBVPKVJLJXZMLX-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43546068
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 104932953
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
1-[2-(6-hydroxyhexylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107846493
1-[2-(2-cyanoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 54867554
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43402208) is 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is CC(=O)NCCNC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is YBVPKVJLJXZMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10(16)14-7-8-15-11(17)9-13(12(18)19)5-3-2-4-6-13/h2-9H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43402208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).