2-(Aminomethyl)-2-propenoic acid; N-(2-Acetoxy-2-pentadecenoyl), Me ester 

AlkaPlorer ID: AK286503

Synonym: None

IUPAC Name: methyl 2-[[[(Z)-2-acetyloxypentadec-2-enoyl]amino]methyl]prop-2-enoate

Structure

SMILES: C=C(CNC(=O)/C(=C/CCCCCCCCCCCC)OC(C)=O)C(=O)OC

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InChI: InChI=1S/C22H37NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(28-19(3)24)21(25)23-17-18(2)22(26)27-4/h16H,2,5-15,17H2,1,3-4H3,(H,23,25)/b20-16-

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InChIKey: ROIZQDJFMLUXAJ-SILNSSARSA-N

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Reference

PubChem CID: 21775195

CAS: 219558-64-2

Source

Properties Information

Molecule Weight: 395.5400000000001

TPSA: 81.7

MolLogP: 4.589800000000005

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information