methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate

C11H19NO4 — CID 104774844

IUPACmethyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)10(14)12-5-6-16-7-8(12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyQHECRHLQTLCFRB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds1

About methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate

methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate (PubChem CID 104774844) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
PubChem CID104774844
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H19NO4/c1-11(2,3)10(14)12-5-6-16-7-8(12)9(13)15-4/h8H,5-7H2,1-4H3
InChIKeyQHECRHLQTLCFRB-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
4-O-butyl 3-O-methyl morpholine-3,4-dicarboxylate
CID 118540303
3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104774518

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate (CID 104774844) is methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)C(C)(C)C.
What is the InChIKey of methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate?
The InChIKey is QHECRHLQTLCFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)10(14)12-5-6-16-7-8(12)9(13)15-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate?
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate is sourced from PubChem (CID 104774844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).