4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid

C11H19NO2 — CID 83831391

IUPAC4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-12(10-6-7-10)9-4-2-8(3-5-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyITJNJPXMHOSMAT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds3

About 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid

4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83831391) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83831391
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-12(10-6-7-10)9-4-2-8(3-5-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyITJNJPXMHOSMAT-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 117029342
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-[cyclohexanecarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 115270026
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 83831391) is 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(C1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ITJNJPXMHOSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(10-6-7-10)9-4-2-8(3-5-9)11(13)14/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid?
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83831391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).