2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid

C11H15NO3 — CID 117298569

IUPAC2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
SMILESCCc1cc(O)cc(CC(N)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-2-7-3-8(5-9(13)4-7)6-10(12)11(14)15/h3-5,10,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyOMYGDNIVPBOAMI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid

2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid (PubChem CID 117298569) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
PubChem CID117298569
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
SMILESCCc1cc(O)cc(CC(N)C(=O)O)c1
InChIInChI=1S/C11H15NO3/c1-2-7-3-8(5-9(13)4-7)6-10(12)11(14)15/h3-5,10,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyOMYGDNIVPBOAMI-UHFFFAOYSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
CID 69488080
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid (CID 117298569) is 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid is CCc1cc(O)cc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid?
The InChIKey is OMYGDNIVPBOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-7-3-8(5-9(13)4-7)6-10(12)11(14)15/h3-5,10,13H,2,6,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid?
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117298569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).