2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid

C11H15NO4 — CID 84689653

IUPAC2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
SMILESCCc1ccc(OC)c(O)c1C(N)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-6-4-5-7(16-2)10(13)8(6)9(12)11(14)15/h4-5,9,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyLNZRXEVINJUTRV-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.05
Rot. Bonds4

About 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid

2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 84689653) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID84689653
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid
SMILESCCc1ccc(OC)c(O)c1C(N)C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-6-4-5-7(16-2)10(13)8(6)9(12)11(14)15/h4-5,9,13H,3,12H2,1-2H3,(H,14,15)
InChIKeyLNZRXEVINJUTRV-UHFFFAOYSA-N
XLogP1.05
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.05
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

(2S)-2-amino-2-[6-(carboxymethyl)-2-hydroxy-3-methoxyphenyl]acetic acid
CID 66512743
2-amino-1-(6-ethyl-2-hydroxy-3-methoxyphenyl)propan-1-one
CID 84688281
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
2-amino-2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117467276
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid (CID 84689653) is 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid is CCc1ccc(OC)c(O)c1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is LNZRXEVINJUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-6-4-5-7(16-2)10(13)8(6)9(12)11(14)15/h4-5,9,13H,3,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid?
2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-ethyl-2-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84689653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).