Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoate

HCID 10243501

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Basic information

CAS: 104700-37-0
Standard SMILES: CCOC(=O)/C=C/[C@H](C)NC(=O)OC(C)(C)C
InChIKey: HKMBNCHGMXKCTC-FLOXNTQESA-N
Molecular formula: C12H21NO4
Average molar mass: 243.3 g/mol
Monoisotopic mass: 243.14705815

Names & identifiers

Preferred name: Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoate
IUPAC: ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Names & synonyms

104700-37-0Ethyl (2E,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-pentenoateEthyl (2E,4S)-4-(((1,1-dimethylethoxy)carbonyl)amino)-2-pentenoateRefChem:341703SCHEMBL2546237HKMBNCHGMXKCTC-FLOXNTQESA-NDTXSID201164243Ethyl (2E)-4-[(tert-butoxycarbonyl)amino]-2-pentenoate #Ethyl (2E,4S)-4-[(tert-butoxycarbonyl)amino]pent-2-enoate2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl)amino]-, ethyl ester

Database identifiers

CAS: 104700-37-0
PubChem CID: 10243501
DTXSID: DTXSID201164243
Nikkaji: J1.883.644K、J796.466H

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: 17
Formal charge: 0
Complexity: 291

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