methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate

C9H15NO5 — CID 112617487

IUPACmethyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H15NO5/c1-6-5-15-7(4-11)3-10(6)8(12)9(13)14-2/h6-7,11H,3-5H2,1-2H3
InChIKeyCVYHVUFEJWOHMQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.23
Rot. Bonds1

About methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate

methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate (PubChem CID 112617487) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
PubChem CID112617487
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C9H15NO5/c1-6-5-15-7(4-11)3-10(6)8(12)9(13)14-2/h6-7,11H,3-5H2,1-2H3
InChIKeyCVYHVUFEJWOHMQ-UHFFFAOYSA-N
XLogP-1.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate (CID 112617487) is methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate is COC(=O)C(=O)N1CC(CO)OCC1C.
What is the InChIKey of methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate?
The InChIKey is CVYHVUFEJWOHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-6-5-15-7(4-11)3-10(6)8(12)9(13)14-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate?
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate has a molecular weight of 217.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate is sourced from PubChem (CID 112617487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).