2-(2-amino-3,4-dihydroxyphenyl)acetic acid

C8H9NO4 — CID 171338430

IUPAC2-(2-amino-3,4-dihydroxyphenyl)acetic acid
SMILESNc1c(CC(=O)O)ccc(O)c1O
InChIInChI=1S/C8H9NO4/c9-7-4(3-6(11)12)1-2-5(10)8(7)13/h1-2,10,13H,3,9H2,(H,11,12)
InChIKeyCGOAUMGIUWXYOI-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.31
Rot. Bonds2

About 2-(2-amino-3,4-dihydroxyphenyl)acetic acid

2-(2-amino-3,4-dihydroxyphenyl)acetic acid (PubChem CID 171338430) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-(2-amino-3,4-dihydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3,4-dihydroxyphenyl)acetic acid
PubChem CID171338430
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-(2-amino-3,4-dihydroxyphenyl)acetic acid
SMILESNc1c(CC(=O)O)ccc(O)c1O
InChIInChI=1S/C8H9NO4/c9-7-4(3-6(11)12)1-2-5(10)8(7)13/h1-2,10,13H,3,9H2,(H,11,12)
InChIKeyCGOAUMGIUWXYOI-UHFFFAOYSA-N
XLogP0.31
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(2-amino-3,4-dihydroxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-3,4-dihydroxyphenyl)acetic acid
CID 54776284
4-[(azanyl(15N)amino)methyl]benzene-1,2,3-triol;oxalic acid
CID 175673177
2-(3,4-dihydroxy-1-benzothiophen-7-yl)acetic acid
CID 91292281
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
3-[3,4-dihydroxy-2-(hydroxymethyl)phenyl]propanoic acid
CID 153427168
2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid
CID 22326284
CID 172781001
CID 172781001
CID 172781038
CID 172781038
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
CID 84802752

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,4-dihydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-amino-3,4-dihydroxyphenyl)acetic acid (CID 171338430) is 2-(2-amino-3,4-dihydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-3,4-dihydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-amino-3,4-dihydroxyphenyl)acetic acid is Nc1c(CC(=O)O)ccc(O)c1O.
What is the InChIKey of 2-(2-amino-3,4-dihydroxyphenyl)acetic acid?
The InChIKey is CGOAUMGIUWXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c9-7-4(3-6(11)12)1-2-5(10)8(7)13/h1-2,10,13H,3,9H2,(H,11,12).
What are the key properties of 2-(2-amino-3,4-dihydroxyphenyl)acetic acid?
2-(2-amino-3,4-dihydroxyphenyl)acetic acid has a molecular weight of 183.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,4-dihydroxyphenyl)acetic acid is sourced from PubChem (CID 171338430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).