2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid

C11H15NO4 — CID 62963313

IUPAC2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
SMILESCCOc1cccc(CC(N)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-2-16-9-5-3-4-7(10(9)13)6-8(12)11(14)15/h3-5,8,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyQQJQFVYRSNOPEH-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.75
Rot. Bonds5

About 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid

2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid (PubChem CID 62963313) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
PubChem CID62963313
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
SMILESCCOc1cccc(CC(N)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-2-16-9-5-3-4-7(10(9)13)6-8(12)11(14)15/h3-5,8,13H,2,6,12H2,1H3,(H,14,15)
InChIKeyQQJQFVYRSNOPEH-UHFFFAOYSA-N
XLogP0.75
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
ethyl 2-cyano-3-(3-ethoxy-2-hydroxyphenyl)propanoate
CID 82350256
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-(4-amino-2-methylbutyl)-6-ethoxyphenol
CID 83930768
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]hexanoic acid
CID 82364615
N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide
CID 82350259
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
2-amino-3-(2,3-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 174776848

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid (CID 62963313) is 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid is CCOc1cccc(CC(N)C(=O)O)c1O.
What is the InChIKey of 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid?
The InChIKey is QQJQFVYRSNOPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-16-9-5-3-4-7(10(9)13)6-8(12)11(14)15/h3-5,8,13H,2,6,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid?
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 62963313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).