ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate

C11H15NO3 — CID 54017853

IUPACethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1
InChIKeyKWVNUXHFFRWCGL-JTQLQIEISA-N
MW209.25 g/mol
LogP0.83
Rot. Bonds4

About ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate

ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate (PubChem CID 54017853) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
PubChem CID54017853
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Nameethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1
InChIKeyKWVNUXHFFRWCGL-JTQLQIEISA-N
XLogP0.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
ethyl 2-amino-3-(3-propylphenyl)propanoate;hydrochloride
CID 135364891
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl (2R)-2-amino-3-(3-cyanophenyl)propanoate
CID 70081034
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
2-amino-3-(3-hydroxyphenyl)propanoate
CID 22492054
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate (CID 54017853) is ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate is CCOC(=O)[C@@H](N)Cc1cccc(O)c1.
What is the InChIKey of ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate?
The InChIKey is KWVNUXHFFRWCGL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-4-3-5-9(13)6-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate?
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 54017853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).