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

C16H15NO4 — CID 80722615

IUPAC3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
SMILESO=C(Cc1ccccc1O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c18-14-7-2-1-5-12(14)9-15(19)17-10-11-4-3-6-13(8-11)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyQSXNQEJWRKCCHL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.95
Rot. Bonds5

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

3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid (PubChem CID 80722615) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
PubChem CID80722615
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid
SMILESO=C(Cc1ccccc1O)NCc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c18-14-7-2-1-5-12(14)9-15(19)17-10-11-4-3-6-13(8-11)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyQSXNQEJWRKCCHL-UHFFFAOYSA-N
XLogP1.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861
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3-(benzamidomethyl)benzoic acid;ethane
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3-[(propanoylamino)methyl]benzoic acid
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3-[(butanoylamino)methyl]benzoic acid
CID 60895851
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
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3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
3-[(3,3,3-trifluoropropanoylamino)methyl]benzoic acid
CID 60894410
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
3-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid
CID 60894962
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
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3-[(but-3-enoylamino)methyl]benzoic acid
CID 62683980

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid (CID 80722615) is 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid is O=C(Cc1ccccc1O)NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid?
The InChIKey is QSXNQEJWRKCCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-14-7-2-1-5-12(14)9-15(19)17-10-11-4-3-6-13(8-11)16(20)21/h1-8,18H,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid?
3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 80722615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).