3-(1,2-Dihydroxy-4-isocyano-3-cyclopenten-1-yl)-2-propenoic acid; (1R*,2S*,1'E)-form, Me ester 

AlkaPlorer ID: AK296257

Synonym: None

IUPAC Name: methyl 3-(1,2-dihydroxy-4-isocyanocyclopent-3-en-1-yl)prop-2-enoate

Structure

SMILES: [C-]#[N+]C1=CC(O)C(O)(C=CC(=O)OC)C1

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InChI: InChI=1S/C10H11NO4/c1-11-7-5-8(12)10(14,6-7)4-3-9(13)15-2/h3-5,8,12,14H,6H2,2H3

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InChIKey: PUPIOROGIFQTCN-UHFFFAOYSA-N

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Reference

PubChem CID: 129854891

CAS: 99294-65-2

Properties Information

Molecule Weight: 209.201

TPSA: 71.12

MolLogP: 0.0144899999999998

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information