4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate

C11H19NO5 — CID 118540303

IUPAC4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
SMILESCCCCOC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-4-6-17-11(14)12-5-7-16-8-9(12)10(13)15-2/h9H,3-8H2,1-2H3
InChIKeyXTTMSOWQENESHV-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.80
Rot. Bonds4

About 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate

4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate (PubChem CID 118540303) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
PubChem CID118540303
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
SMILESCCCCOC(=O)N1CCOCC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-3-4-6-17-11(14)12-5-7-16-8-9(12)10(13)15-2/h9H,3-8H2,1-2H3
InChIKeyXTTMSOWQENESHV-UHFFFAOYSA-N
XLogP0.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
methyl 4-(2-butoxy-2-oxoethyl)morpholine-3-carboxylate
CID 113296435
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
butoxycarbonyl 4-methylmorpholine-3-carboxylate
CID 174915013
1-O-butyl 2-O-methyl 4-acetylsulfanylpyrrolidine-1,2-dicarboxylate
CID 87803752
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
1-O-butyl 2-O-methyl 3-methoxypyrrolidine-1,2-dicarboxylate
CID 126673748
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408

Frequently Asked Questions

What is the IUPAC name of 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate?
The IUPAC name of 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate (CID 118540303) is 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate.
What is the SMILES notation for 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate?
The canonical SMILES for 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate is CCCCOC(=O)N1CCOCC1C(=O)OC.
What is the InChIKey of 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate?
The InChIKey is XTTMSOWQENESHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-4-6-17-11(14)12-5-7-16-8-9(12)10(13)15-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate?
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate is sourced from PubChem (CID 118540303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).