4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

C14H22N2O5 — CID 83104998

IUPAC4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O5/c1-15-12(17)11-8-21-7-6-16(11)13(18)9-2-4-10(5-3-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyPVKYLWDEZJFVCS-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.15
Rot. Bonds3

About 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid

4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 83104998) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID83104998
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O5/c1-15-12(17)11-8-21-7-6-16(11)13(18)9-2-4-10(5-3-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyPVKYLWDEZJFVCS-UHFFFAOYSA-N
XLogP-0.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)cyclohexanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83099425
4-(3-aminocyclopentanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098008
4-(4-amino-3-methylcyclohexanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83104925
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098853
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
4-[4-(ethylamino)oxolane-3-carbonyl]-N-methylmorpholine-3-carboxamide
CID 83098007

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid (CID 83104998) is 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is CNC(=O)C1COCCN1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is PVKYLWDEZJFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-15-12(17)11-8-21-7-6-16(11)13(18)9-2-4-10(5-3-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid?
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83104998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).