H-Tyr(Allyl)-OMe

HCID 14769187

Notes Reactions

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Basic information

Standard SMILES: C=CCOc1ccc(C[C@H](N)C(=O)OC)cc1
InChIKey: JZATVIJICRYKPA-LBPRGKRZSA-N
Molecular formula: C13H17NO3
Average molar mass: 235.28 g/mol

Names & identifiers

Preferred name: H-Tyr(Allyl)-OMe
IUPAC: methyl (2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoate

Names & synonyms

H-Tyr(Allyl)-OMeO-Allyltyrosine methyl ester127802-97-5MFCD01862374SCHEMBL8886017JZATVIJICRYKPA-LBPRGKRZSA-NAKOS030212876EN300-18671785methyl (2S)-3-(4-allyloxyphenyl)-2-amino-propanoateMethyl (S)-3-(4-(allyloxy)phenyl)-2-aminopropanoatemethyl (2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoatemethyl (2S)-2-amino-3-[4-(prop-2-en-1-yloxy)phenyl]propanoate

Database identifiers

PubChem CID: 14769187

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 247

Related reactions

1 records

New reaction record

HRID 1449693As reactantuspto-grants-1997_02

Compound notes

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