2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid

C13H11NO5 — CID 63914035

IUPAC2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C13H11NO5/c15-11(16)7-19-14-13(18)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2,(H,14,18)(H,15,16)
InChIKeyQIWJIJMRBYHBOZ-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid

2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid (PubChem CID 63914035) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
PubChem CID63914035
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C13H11NO5/c15-11(16)7-19-14-13(18)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2,(H,14,18)(H,15,16)
InChIKeyQIWJIJMRBYHBOZ-UHFFFAOYSA-N
XLogP1.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dihydroxybenzoyl)amino]oxyacetic acid
CID 114343359
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
N-cyclopent-3-en-1-yl-1-hydroxynaphthalene-2-carboxamide
CID 115696816
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558836
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
methyl 2-bromo-3-[(1-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 103492634
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
CID 60988949

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid (CID 63914035) is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid?
The InChIKey is QIWJIJMRBYHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-11(16)7-19-14-13(18)10-6-5-8-3-1-2-4-9(8)12(10)17/h1-6,17H,7H2,(H,14,18)(H,15,16).
What are the key properties of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid?
2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid has a molecular weight of 261.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63914035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).