5-Benzyloxy-4-bromomethyl-2-formylamino-pent-3-enoic acid ethyl ester

HCID 54066643
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Basic information

Standard SMILES
CCOC(=O)C(C=C(CBr)COCc1ccccc1)NC=O
InChIKey
MDLUKMKCJMAFBD-UHFFFAOYSA-N
Molecular formula
C16H20BrNO4
Average molar mass
370.24 g/mol

Names & identifiers

Preferred name
5-Benzyloxy-4-bromomethyl-2-formylamino-pent-3-enoic acid ethyl ester
IUPAC
ethyl 4-(bromomethyl)-2-formamido-5-phenylmethoxypent-3-enoate

Names & synonyms

SCHEMBL8988978MDLUKMKCJMAFBD-UHFFFAOYSA-N5-benzyloxy-4-bromomethyl-2-formylamino-pent-3-enoic acid ethyl ester

Database identifiers

PubChem CID
54066643

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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