1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 62975203

IUPAC1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(CCNC(=O)CC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-17(12-5-6-12)10-9-16-13(18)11-15(14(19)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyGLUGAKOQHWFHCW-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds7

About 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 62975203) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID62975203
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCN(CCNC(=O)CC1(C(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C15H26N2O3/c1-17(12-5-6-12)10-9-16-13(18)11-15(14(19)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)
InChIKeyGLUGAKOQHWFHCW-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 62975025
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 79854308
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-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-[2-(dimethylsulfamoyl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106334798
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
1-[2-oxo-2-(pentylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529498
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 62975203) is 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CN(CCNC(=O)CC1(C(=O)O)CCCCC1)C1CC1.
What is the InChIKey of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is GLUGAKOQHWFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(12-5-6-12)10-9-16-13(18)11-15(14(19)20)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62975203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).