3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid

C15H14N2O4 — CID 80744121

IUPAC3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H14N2O4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8,16H2,(H,17,19)(H,20,21)
InChIKeyVHVAKZHDOXNINP-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid

3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 80744121) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID80744121
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H14N2O4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8,16H2,(H,17,19)(H,20,21)
InChIKeyVHVAKZHDOXNINP-UHFFFAOYSA-N
XLogP1.85
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 63117383
3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80722030
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
N-(4-amino-2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 103144485
3-[[2-(3-aminophenyl)acetyl]amino]-4-hydroxybenzoic acid
CID 107265319
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262
N-(2-fluoro-4-hydroxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740962
2-(2-hydroxyphenyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80741188
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid (CID 80744121) is 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid is Nc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1O.
What is the InChIKey of 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is VHVAKZHDOXNINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-7-10(15(20)21)5-6-12(11)17-14(19)8-9-3-1-2-4-13(9)18/h1-7,18H,8,16H2,(H,17,19)(H,20,21).
What are the key properties of 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid?
3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 80744121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).