methyl 3-methylmorpholine-4-carboxylate

C7H13NO3 — CID 110292243

IUPACmethyl 3-methylmorpholine-4-carboxylate
SMILESCOC(=O)N1CCOCC1C
InChIInChI=1S/C7H13NO3/c1-6-5-11-4-3-8(6)7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyAIYHHTBXMKFFKW-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.47
Rot. Bonds

About methyl 3-methylmorpholine-4-carboxylate

methyl 3-methylmorpholine-4-carboxylate (PubChem CID 110292243) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl 3-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylmorpholine-4-carboxylate
PubChem CID110292243
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-methylmorpholine-4-carboxylate
SMILESCOC(=O)N1CCOCC1C
InChIInChI=1S/C7H13NO3/c1-6-5-11-4-3-8(6)7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyAIYHHTBXMKFFKW-UHFFFAOYSA-N
XLogP0.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methylmorpholine-4-carboxylate?
The IUPAC name of methyl 3-methylmorpholine-4-carboxylate (CID 110292243) is methyl 3-methylmorpholine-4-carboxylate.
What is the SMILES notation for methyl 3-methylmorpholine-4-carboxylate?
The canonical SMILES for methyl 3-methylmorpholine-4-carboxylate is COC(=O)N1CCOCC1C.
What is the InChIKey of methyl 3-methylmorpholine-4-carboxylate?
The InChIKey is AIYHHTBXMKFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6-5-11-4-3-8(6)7(9)10-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 3-methylmorpholine-4-carboxylate?
methyl 3-methylmorpholine-4-carboxylate has a molecular weight of 159.19 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylmorpholine-4-carboxylate is sourced from PubChem (CID 110292243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).