methyl morpholine-3-carboxylate

C6H11NO3 — CID 3286806

IUPACmethyl morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3
InChIKeyVVYXIRKYWOEDRA-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.85
Rot. Bonds1

About methyl morpholine-3-carboxylate

methyl morpholine-3-carboxylate (PubChem CID 3286806) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl morpholine-3-carboxylate
PubChem CID3286806
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1
InChIInChI=1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3
InChIKeyVVYXIRKYWOEDRA-UHFFFAOYSA-N
XLogP-0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl morpholine-3-carboxylate?
The IUPAC name of methyl morpholine-3-carboxylate (CID 3286806) is methyl morpholine-3-carboxylate.
What is the SMILES notation for methyl morpholine-3-carboxylate?
The canonical SMILES for methyl morpholine-3-carboxylate is COC(=O)C1COCCN1.
What is the InChIKey of methyl morpholine-3-carboxylate?
The InChIKey is VVYXIRKYWOEDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3.
What are the key properties of methyl morpholine-3-carboxylate?
methyl morpholine-3-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl morpholine-3-carboxylate is sourced from PubChem (CID 3286806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).