2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid

C16H15NO4 — CID 80743167

IUPAC2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1ccccc1O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-17(13-8-4-3-7-12(13)16(20)21)15(19)10-11-6-2-5-9-14(11)18/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeyOSTSWZUMYKQMLJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.30
Rot. Bonds4

About 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid

2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid (PubChem CID 80743167) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
PubChem CID80743167
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
SMILESCN(C(=O)Cc1ccccc1O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO4/c1-17(13-8-4-3-7-12(13)16(20)21)15(19)10-11-6-2-5-9-14(11)18/h2-9,18H,10H2,1H3,(H,20,21)
InChIKeyOSTSWZUMYKQMLJ-UHFFFAOYSA-N
XLogP2.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
2-(2-hydroxyphenyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106936085
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61158983

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid?
The IUPAC name of 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid (CID 80743167) is 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid.
What is the SMILES notation for 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid?
The canonical SMILES for 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid is CN(C(=O)Cc1ccccc1O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid?
The InChIKey is OSTSWZUMYKQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17(13-8-4-3-7-12(13)16(20)21)15(19)10-11-6-2-5-9-14(11)18/h2-9,18H,10H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid?
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid is sourced from PubChem (CID 80743167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).