Ethyl 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopropyl]-2-propenoate

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Basic information

CAS: 107259-07-4
Standard SMILES: CCOC(=O)C=CC1(NC(=O)OC(C)(C)C)CC1
InChIKey: VTFCFIBOACTEAA-UHFFFAOYSA-N
Molecular formula: C13H21NO4
Average molar mass: 255.31 g/mol
Monoisotopic mass: 255.14705815

Names & identifiers

Preferred name: Ethyl 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopropyl]-2-propenoate
IUPAC: ethyl 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]prop-2-enoate

Names & synonyms

Ethyl (E)-3-(1-((tert-butoxycarbonyl)amino)cyclopropyl)acrylateSCHEMBL5059145DTXSID701146842Ethyl 3-[1-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopropyl]-2-propenoate107259-07-4Ethyl 3-{1-[(tert-butoxycarbonyl)amino]cyclopropyl}prop-2-enoate

Database identifiers

CAS: 107259-07-4
PubChem CID: 54409652
DTXSID: DTXSID701146842

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 350

Related reactions

1 records

New reaction record

HRID 1224359As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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