3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid

C11H20N2O3 — CID 63042782

IUPAC3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-12-10(14)5-6-13-9-4-2-3-8(7-9)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyDFXPUOZWFNVWQA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

About 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid

3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63042782) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63042782
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-12-10(14)5-6-13-9-4-2-3-8(7-9)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyDFXPUOZWFNVWQA-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63044076
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
3-[(4,4-dimethylcycloheptyl)amino]-N-methylpropanamide
CID 65083464
3-(6-methylsulfanylhexylamino)cyclohexane-1-carboxylic acid
CID 114125026
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988
3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043525
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid (CID 63042782) is 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid is CNC(=O)CCNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DFXPUOZWFNVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-10(14)5-6-13-9-4-2-3-8(7-9)11(15)16/h8-9,13H,2-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid?
3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).