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

C12H21NO3 — CID 43803267

IUPAC4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C12H21NO3/c1-10-2-4-12(5-3-10,11(14)15)13-6-8-16-9-7-13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyZSAOPELYWSSITM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds2

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

4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (PubChem CID 43803267) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
PubChem CID43803267
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C12H21NO3/c1-10-2-4-12(5-3-10,11(14)15)13-6-8-16-9-7-13/h10H,2-9H2,1H3,(H,14,15)
InChIKeyZSAOPELYWSSITM-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid (CID 43803267) is 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
The InChIKey is ZSAOPELYWSSITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10-2-4-12(5-3-10,11(14)15)13-6-8-16-9-7-13/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid?
4-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 4-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43803267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).