3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

C13H23NO3 — CID 64745091

IUPAC3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCOCC2)CC1C
InChIInChI=1S/C13H23NO3/c1-10-3-4-13(12(15)16,9-11(10)2)14-5-7-17-8-6-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOLFXWFLPHJXDIY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds2

About 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid

3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 64745091) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID64745091
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCOCC2)CC1C
InChIInChI=1S/C13H23NO3/c1-10-3-4-13(12(15)16,9-11(10)2)14-5-7-17-8-6-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOLFXWFLPHJXDIY-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756736
1-Morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758452
3-O-ethyl 2-O-methyl (3S,4aR,6R,8aR)-6-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 10040389
3-O-ethyl 2-O-methyl (3S,4aR,6S,8aR)-6-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 10086108
3-O-ethyl 2-O-methyl 6-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 15649457
3-(3-ethoxycarbonyl-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl)pentanoic acid
CID 22906263
3-(3-ethoxycarbonyl-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl)propanoic acid
CID 22906276
3-O-ethyl 2-O-methyl 6-(3-hydroxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 22906290
3-O-ethyl 2-O-methyl 6-(2-hydroxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate
CID 22906298
2-[(3-ethoxycarbonyl-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl)methyl]butanoic acid
CID 57289614
2-(3-ethoxycarbonyl-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-yl)acetic acid
CID 57314580
4-[2-(2,2,6,6-Tetramethylpiperidin-1-yl)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 68135359

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 64745091) is 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CCOCC2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is OLFXWFLPHJXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-3-4-13(12(15)16,9-11(10)2)14-5-7-17-8-6-14/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64745091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).