4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

C13H22N2O4 — CID 61186956

IUPAC4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10-2-4-13(5-3-10,11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyJWDSTOHMLYPCSX-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds2

About 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 61186956) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID61186956
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10-2-4-13(5-3-10,11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyJWDSTOHMLYPCSX-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 61186956) is 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)N2CCOCC2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JWDSTOHMLYPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-2-4-13(5-3-10,11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61186956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).