4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C11H19N3O4 — CID 60808421

IUPAC4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)NC(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-12-11(18)14-9(15)6-13-8-4-2-7(3-5-8)10(16)17/h7-8,13H,2-6H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyNMOFZZRGOIJNTC-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.32
Rot. Bonds4

About 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808421) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808421
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)NC(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-12-11(18)14-9(15)6-13-8-4-2-7(3-5-8)10(16)17/h7-8,13H,2-6H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyNMOFZZRGOIJNTC-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-(Carbamoylamino)cyclohexane-1-carboxylic acid
CID 45792187
Rac-(5r,8r)-3-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylic acid
CID 84008440
4-(2-Fluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 312741
4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810375
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61606968
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607358
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607664
4-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79261780
4-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
4-(4-Fluorobutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 121654333
4-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]cyclohexane-1-carboxylic acid
CID 121929332
4-[[2-Oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007319

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60808421) is 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CNC(=O)NC(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NMOFZZRGOIJNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-11(18)14-9(15)6-13-8-4-2-7(3-5-8)10(16)17/h7-8,13H,2-6H2,1H3,(H,16,17)(H2,12,14,15,18).
What are the key properties of 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).