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

C11H15NO3 — CID 14009054

IUPACethyl 2-amino-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13/h3-6,9,13H,2,7,12H2,1H3
InChIKeyAKXACSSFMCWJOB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.83
Rot. Bonds4

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

ethyl 2-amino-3-(2-hydroxyphenyl)propanoate (PubChem CID 14009054) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-hydroxyphenyl)propanoate
PubChem CID14009054
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-amino-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1O
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13/h3-6,9,13H,2,7,12H2,1H3
InChIKeyAKXACSSFMCWJOB-UHFFFAOYSA-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 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
ethyl (2S)-2-amino-3-(2-hydroxy-5-nitrophenyl)propanoate
CID 3088540
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
CID 170885706
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate (CID 14009054) is ethyl 2-amino-3-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-hydroxyphenyl)propanoate is CCOC(=O)C(N)Cc1ccccc1O.
What is the InChIKey of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate?
The InChIKey is AKXACSSFMCWJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)9(12)7-8-5-3-4-6-10(8)13/h3-6,9,13H,2,7,12H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-hydroxyphenyl)propanoate?
ethyl 2-amino-3-(2-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 2-amino-3-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 14009054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).