2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide

C8H9NO5 — CID 18955501

IUPAC2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide
SMILESO=C(NO)C(O)c1cccc(O)c1O
InChIInChI=1S/C8H9NO5/c10-5-3-1-2-4(6(5)11)7(12)8(13)9-14/h1-3,7,10-12,14H,(H,9,13)
InChIKeyMOHATNOYUAQARQ-UHFFFAOYSA-N
MW199.16 g/mol
LogP-0.36
Rot. Bonds2

About 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide

2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide (PubChem CID 18955501) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide
PubChem CID18955501
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide
SMILESO=C(NO)C(O)c1cccc(O)c1O
InChIInChI=1S/C8H9NO5/c10-5-3-1-2-4(6(5)11)7(12)8(13)9-14/h1-3,7,10-12,14H,(H,9,13)
InChIKeyMOHATNOYUAQARQ-UHFFFAOYSA-N
XLogP-0.36
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide 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

3-(dihydroxymethyl)benzene-1,2-diol
CID 22263395
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
azanium 2-hydroxy-2-(2-hydroxyphenyl)acetate
CID 70117945
2-[3-(1-chloro-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 135740852
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
3-(1,3-diphenylpropyl)benzene-1,2-diol
CID 54385073
benzene-1,2,3-triol
CID 87074018
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide?
The IUPAC name of 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide (CID 18955501) is 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide.
What is the SMILES notation for 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide?
The canonical SMILES for 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide is O=C(NO)C(O)c1cccc(O)c1O.
What is the InChIKey of 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide?
The InChIKey is MOHATNOYUAQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c10-5-3-1-2-4(6(5)11)7(12)8(13)9-14/h1-3,7,10-12,14H,(H,9,13).
What are the key properties of 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide?
2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide has a molecular weight of 199.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxyphenyl)-N,2-dihydroxyacetamide is sourced from PubChem (CID 18955501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).