2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid

C9H9NO6 — CID 114343359

IUPAC2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cccc(O)c1O
InChIInChI=1S/C9H9NO6/c11-6-3-1-2-5(8(6)14)9(15)10-16-4-7(12)13/h1-3,11,14H,4H2,(H,10,15)(H,12,13)
InChIKeyGUTVHLJKVHCMEB-UHFFFAOYSA-N
MW227.17 g/mol
LogP-0.16
Rot. Bonds4

About 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid

2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid (PubChem CID 114343359) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
PubChem CID114343359
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cccc(O)c1O
InChIInChI=1S/C9H9NO6/c11-6-3-1-2-5(8(6)14)9(15)10-16-4-7(12)13/h1-3,11,14H,4H2,(H,10,15)(H,12,13)
InChIKeyGUTVHLJKVHCMEB-UHFFFAOYSA-N
XLogP-0.16
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
CID 63914035
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
2-[(2-bromo-3-methylbenzoyl)amino]oxyacetic acid
CID 107981467
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
CID 63931399
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
N-[4,6-bis[(2,3-dihydroxybenzoyl)amino]-1,3,5-triazin-2-yl]-2,3-dihydroxybenzamide
CID 164848329
(2,3-dihydroxybenzoyl) 2,3-dihydroxybenzenecarboperoxoate
CID 151078353
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid (CID 114343359) is 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1cccc(O)c1O.
What is the InChIKey of 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid?
The InChIKey is GUTVHLJKVHCMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c11-6-3-1-2-5(8(6)14)9(15)10-16-4-7(12)13/h1-3,11,14H,4H2,(H,10,15)(H,12,13).
What are the key properties of 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid?
2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid has a molecular weight of 227.17 g/mol, XLogP of -0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 114343359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).