2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid

C18H17NO7S — CID 88528252

IUPAC2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid
SMILESO=C(O)CN(O)c1ccccc1.O=S(=O)(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O4S.C8H9NO3/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;10-8(11)6-9(12)7-4-2-1-3-5-7/h1-6,11H,(H,12,13,14);1-5,12H,6H2,(H,10,11)
InChIKeyKPGOEZXNWKGXPM-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.76
Rot. Bonds4

About 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid

2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid (PubChem CID 88528252) has the molecular formula C18H17NO7S and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid
PubChem CID88528252
Molecular FormulaC18H17NO7S
Molecular Weight391.40 g/mol
Exact Mass391.07
IUPAC Name2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid
SMILESO=C(O)CN(O)c1ccccc1.O=S(=O)(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C10H8O4S.C8H9NO3/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;10-8(11)6-9(12)7-4-2-1-3-5-7/h1-6,11H,(H,12,13,14);1-5,12H,6H2,(H,10,11)
InChIKeyKPGOEZXNWKGXPM-UHFFFAOYSA-N
XLogP2.76
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid (CID 88528252) is 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid is O=C(O)CN(O)c1ccccc1.O=S(=O)(O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is KPGOEZXNWKGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S.C8H9NO3/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;10-8(11)6-9(12)7-4-2-1-3-5-7/h1-6,11H,(H,12,13,14);1-5,12H,6H2,(H,10,11).
What are the key properties of 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid?
2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 391.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxyanilino)acetic acid;6-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 88528252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).