2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid

C10H13NO4 — CID 84678223

IUPAC2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
SMILESCCOc1cccc(O)c1C(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-15-7-5-3-4-6(12)8(7)9(11)10(13)14/h3-5,9,12H,2,11H2,1H3,(H,13,14)
InChIKeyAMTNUPWIXYXCJV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.88
Rot. Bonds4

About 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid

2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid (PubChem CID 84678223) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
PubChem CID84678223
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
SMILESCCOc1cccc(O)c1C(N)C(=O)O
InChIInChI=1S/C10H13NO4/c1-2-15-7-5-3-4-6(12)8(7)9(11)10(13)14/h3-5,9,12H,2,11H2,1H3,(H,13,14)
InChIKeyAMTNUPWIXYXCJV-UHFFFAOYSA-N
XLogP0.88
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-amino-4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117350552
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
CID 174512911
2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
2-amino-2-(3-ethoxy-4-pyridinyl)acetic acid
CID 83879712

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid (CID 84678223) is 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid is CCOc1cccc(O)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid?
The InChIKey is AMTNUPWIXYXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-15-7-5-3-4-6(12)8(7)9(11)10(13)14/h3-5,9,12H,2,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid?
2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid is sourced from PubChem (CID 84678223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).