2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid

C15H13NO6 — CID 174687194

IUPAC2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid
SMILESO=C(Nc1ccc(CO)cc1C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C15H13NO6/c17-7-8-1-3-12(10(5-8)15(21)22)16-14(20)11-6-9(18)2-4-13(11)19/h1-6,17-19H,7H2,(H,16,20)(H,21,22)
InChIKeyFYRARDHZGHXEIU-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.54
Rot. Bonds4

About 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid

2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid (PubChem CID 174687194) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid
PubChem CID174687194
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid
SMILESO=C(Nc1ccc(CO)cc1C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C15H13NO6/c17-7-8-1-3-12(10(5-8)15(21)22)16-14(20)11-6-9(18)2-4-13(11)19/h1-6,17-19H,7H2,(H,16,20)(H,21,22)
InChIKeyFYRARDHZGHXEIU-UHFFFAOYSA-N
XLogP1.54
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-(hydroxymethyl)benzoic acid;hydrate
CID 143701810
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
2-[(2-aminobenzoyl)amino]-5-hydroxybenzoic acid
CID 61406308
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-[(2,2-difluoroacetyl)amino]-5-hydroxybenzoic acid
CID 103513232
2-benzamido-5-[(4-benzamido-3-carboxyphenyl)methyl]benzoic acid
CID 2261273

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid (CID 174687194) is 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid is O=C(Nc1ccc(CO)cc1C(=O)O)c1cc(O)ccc1O.
What is the InChIKey of 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid?
The InChIKey is FYRARDHZGHXEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c17-7-8-1-3-12(10(5-8)15(21)22)16-14(20)11-6-9(18)2-4-13(11)19/h1-6,17-19H,7H2,(H,16,20)(H,21,22).
What are the key properties of 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid?
2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid has a molecular weight of 303.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxybenzoyl)amino]-5-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 174687194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).