1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H22N2O4 — CID 61209789

IUPAC1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1COCCN1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-8-7-15(10)12(18)14-13(11(16)17)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyVBSXHIXCXOFWQM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.20
Rot. Bonds2

About 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61209789) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61209789
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1COCCN1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-8-7-15(10)12(18)14-13(11(16)17)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyVBSXHIXCXOFWQM-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylmorpholine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891042
1-[(2,5-dimethylmorpholine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61202041
1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106773936
3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 83104570
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(3-methyloxane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114240909
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 102783243
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167
1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61209789) is 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1COCCN1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VBSXHIXCXOFWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-9-19-8-7-15(10)12(18)14-13(11(16)17)5-3-2-4-6-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61209789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).