2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid

C11H15NO4 — CID 77128761

IUPAC2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)c(C)cc(C(N)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-5-4-7(8(12)11(14)15)9(13)10(16-3)6(5)2/h4,8,13H,12H2,1-3H3,(H,14,15)
InChIKeyRBLJYIHLCUYALK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid

2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid (PubChem CID 77128761) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
PubChem CID77128761
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1c(C)c(C)cc(C(N)C(=O)O)c1O
InChIInChI=1S/C11H15NO4/c1-5-4-7(8(12)11(14)15)9(13)10(16-3)6(5)2/h4,8,13H,12H2,1-3H3,(H,14,15)
InChIKeyRBLJYIHLCUYALK-UHFFFAOYSA-N
XLogP1.10
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.10
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-hydroxy-3-methoxy-4,5-dimethylphenyl)butanoic acid
CID 117385792
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
3-amino-3-(3-hydroxy-2-methoxy-4,5-dimethylphenyl)propanoic acid
CID 117350564
2-amino-2-(5-chloro-2,4-dimethoxy-3-methylphenyl)acetic acid
CID 117403289
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
3-amino-2-(4-hydroxy-3-methoxy-2,5-dimethylphenyl)propanoic acid
CID 84701186
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 77129623

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid (CID 77128761) is 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid is COc1c(C)c(C)cc(C(N)C(=O)O)c1O.
What is the InChIKey of 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid?
The InChIKey is RBLJYIHLCUYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-5-4-7(8(12)11(14)15)9(13)10(16-3)6(5)2/h4,8,13H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid?
2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-hydroxy-3-methoxy-4,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 77128761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).