[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

C11H18N2O5 — CID 26039897

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1(O)CCCCC1
InChIInChI=1S/C11H18N2O5/c1-12-10(16)13-8(14)7-18-9(15)11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyFWUYZGWSSCXDNY-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.32
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 26039897) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID26039897
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1(O)CCCCC1
InChIInChI=1S/C11H18N2O5/c1-12-10(16)13-8(14)7-18-9(15)11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H2,12,13,14,16)
InChIKeyFWUYZGWSSCXDNY-UHFFFAOYSA-N
XLogP-0.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate (CID 26039897) is [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is CNC(=O)NC(=O)COC(=O)C1(O)CCCCC1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is FWUYZGWSSCXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-12-10(16)13-8(14)7-18-9(15)11(17)5-3-2-4-6-11/h17H,2-7H2,1H3,(H2,12,13,14,16).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 26039897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).