3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

C12H21NO3 — CID 43803240

IUPAC3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C12H21NO3/c1-10-3-2-4-12(9-10,11(14)15)13-5-7-16-8-6-13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyCSNAHGCKRVGHLL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds2

About 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 43803240) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID43803240
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCOCC2)C1
InChIInChI=1S/C12H21NO3/c1-10-3-2-4-12(9-10,11(14)15)13-5-7-16-8-6-13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyCSNAHGCKRVGHLL-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 64745091
1-(4-aminopiperidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 114994922
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
1-(2-azaspiro[3.4]octan-2-yl)-3-methylcyclohexane-1-carboxylic acid
CID 79695262
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
3-methyl-1-(1,2,4-triazol-4-yl)cyclohexane-1-carboxylic acid
CID 62267893
3-methyl-1-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61292826
(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059527
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65419883

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 43803240) is 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCOCC2)C1.
What is the InChIKey of 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is CSNAHGCKRVGHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-3-2-4-12(9-10,11(14)15)13-5-7-16-8-6-13/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).