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

AlkaPlorer ID: AK171212

Synonym: None

IUPAC Name: methyl 2-[(heptadecanoylamino)methyl]prop-2-enoate

Structure

SMILES: C=C(CNC(=O)CCCCCCCCCCCCCCCC)C(=O)OC

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InChI: InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-19-20(2)22(25)26-3/h2,4-19H2,1,3H3,(H,23,24)

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InChIKey: RBRHOMONKQGTRO-UHFFFAOYSA-N

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Reference

PubChem CID: 85830614

COCONUT: CNP0433453

Properties Information

Molecule Weight: 367.5740000000001

TPSA: 55.400000000000006

MolLogP: 5.703200000000006

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information