2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid

C15H13NO5 — CID 60830444

IUPAC2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO5/c17-12-6-4-11(5-7-12)16(9-14(19)20)15(21)10-2-1-3-13(18)8-10/h1-8,17-18H,9H2,(H,19,20)
InChIKeyYBILJJWNVUMCGT-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid

2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid (PubChem CID 60830444) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
PubChem CID60830444
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cccc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO5/c17-12-6-4-11(5-7-12)16(9-14(19)20)15(21)10-2-1-3-13(18)8-10/h1-8,17-18H,9H2,(H,19,20)
InChIKeyYBILJJWNVUMCGT-UHFFFAOYSA-N
XLogP1.83
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)octanoic acid
CID 13025812
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60832479
2-(N-[3-(N'-acetylcarbamimidoyl)benzoyl]anilino)acetic acid
CID 67097918
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
2-(N-(4,5-dimethylthiophene-2-carbonyl)-4-hydroxyanilino)acetic acid
CID 60831132
2-(4-hydroxy-N-(6-hydroxy-2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54546692
2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
CID 66912772

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid (CID 60830444) is 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid is O=C(O)CN(C(=O)c1cccc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid?
The InChIKey is YBILJJWNVUMCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c17-12-6-4-11(5-7-12)16(9-14(19)20)15(21)10-2-1-3-13(18)8-10/h1-8,17-18H,9H2,(H,19,20).
What are the key properties of 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid?
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid has a molecular weight of 287.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid is sourced from PubChem (CID 60830444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).