ethyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate

HCID 841908

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Basic information

CAS: 355391-09-2
Standard SMILES: CCOC(=O)C[C@H](N)c1ccc(O)cc1
InChIKey: ZOXRAHKFGDRAOV-JTQLQIEISA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol
Monoisotopic mass: 209.10519334

Names & identifiers

Preferred name: ethyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate
IUPAC: ethyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate

Names & synonyms

ethyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoateSCHEMBL6539362ZOXRAHKFGDRAOV-JTQLQIEISA-NDTXSID101253057355391-09-2ethyl 3-(4-hydroxyphenyl)-3-(S)-amino-propionateEthyl (I(2)S)-I(2)-amino-4-hydroxybenzenepropanoate

Database identifiers

CAS: 355391-09-2
PubChem CID: 841908
DTXSID: DTXSID101253057

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 200

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