3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 63042085

IUPAC3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C(=O)CNC1CCCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)17(11(3)4)14(18)9-16-13-7-5-6-12(8-13)15(19)20/h10-13,16H,5-9H2,1-4H3,(H,19,20)
InChIKeyMIOFRAFONKHGNT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.86
Rot. Bonds6

About 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63042085) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63042085
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C(=O)CNC1CCCC(C(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)17(11(3)4)14(18)9-16-13-7-5-6-12(8-13)15(19)20/h10-13,16H,5-9H2,1-4H3,(H,19,20)
InChIKeyMIOFRAFONKHGNT-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043691
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043525
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106039169
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63042782
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 63042085) is 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CC(C)N(C(=O)CNC1CCCC(C(=O)O)C1)C(C)C.
What is the InChIKey of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MIOFRAFONKHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)17(11(3)4)14(18)9-16-13-7-5-6-12(8-13)15(19)20/h10-13,16H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).