methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate

C11H19NO3 — CID 121322050

IUPACmethyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
SMILESC=C(OC(C)(C)C)N1CC(C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-8(15-11(2,3)4)12-6-9(7-12)10(13)14-5/h9H,1,6-7H2,2-5H3
InChIKeyQMFOJGSLSPVICN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds3

About methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate

methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate (PubChem CID 121322050) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
PubChem CID121322050
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate
SMILESC=C(OC(C)(C)C)N1CC(C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-8(15-11(2,3)4)12-6-9(7-12)10(13)14-5/h9H,1,6-7H2,2-5H3
InChIKeyQMFOJGSLSPVICN-UHFFFAOYSA-N
XLogP1.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidin-3-amine
CID 89193717
1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidine
CID 131969237
5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 23291151
1-O-tert-butyl 3-O,5-O-dimethyl piperidine-1,3,5-tricarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,5-dicarboxylic acid
CID 167587673
methyl 1-prop-2-enoylazetidine-3-carboxylate
CID 67966191
trimethyl 1,3-diazinane-1,3,5-tricarboxylate
CID 6483784
1-O-tert-butyl 3-O-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate
CID 135135275
1-O-tert-butyl 3-O-methyl 5-oxoazepane-1,3-dicarboxylate
CID 83670924
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
methyl 1-butanoylazetidine-3-carboxylate
CID 54459315
1-O-tert-butyl 3-O,5-O-dimethyl (3S,5S)-piperidine-1,3,5-tricarboxylate;1-O-tert-butyl 3-O,5-O-dimethyl (3R,5S)-piperidine-1,3,5-tricarboxylate;dichloromethane;dimethyl piperidine-3,5-dicarboxylate
CID 158619539

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate?
The IUPAC name of methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate (CID 121322050) is methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate is C=C(OC(C)(C)C)N1CC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate?
The InChIKey is QMFOJGSLSPVICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(15-11(2,3)4)12-6-9(7-12)10(13)14-5/h9H,1,6-7H2,2-5H3.
What are the key properties of methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate?
methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]azetidine-3-carboxylate is sourced from PubChem (CID 121322050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).