methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate

C10H16N2O3 — CID 79674895

IUPACmethyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCOC(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-8(10(13)14-2)6-12-3-4-15-9(5-11)7-12/h8-9H,3-4,6-7H2,1-2H3
InChIKeyGTTHSFKEDLUFGZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.02
Rot. Bonds3

About methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate

methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate (PubChem CID 79674895) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
PubChem CID79674895
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCOC(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-8(10(13)14-2)6-12-3-4-15-9(5-11)7-12/h8-9H,3-4,6-7H2,1-2H3
InChIKeyGTTHSFKEDLUFGZ-UHFFFAOYSA-N
XLogP0.02
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate (CID 79674895) is methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate is COC(=O)C(C)CN1CCOC(C#N)C1.
What is the InChIKey of methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate?
The InChIKey is GTTHSFKEDLUFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-8(10(13)14-2)6-12-3-4-15-9(5-11)7-12/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate?
methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate has a molecular weight of 212.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyanomorpholin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 79674895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).