2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid

C16H14N2O5 — CID 58944712

IUPAC2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H14N2O5/c19-13-7-2-1-6-12(13)16(23)18-11-5-3-4-10(8-11)15(22)17-9-14(20)21/h1-8,19H,9H2,(H,17,22)(H,18,23)(H,20,21)
InChIKeyKTBLFGIVRJMOBX-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.46
Rot. Bonds5

About 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid

2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 58944712) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID58944712
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(NC(=O)c2ccccc2O)c1
InChIInChI=1S/C16H14N2O5/c19-13-7-2-1-6-12(13)16(23)18-11-5-3-4-10(8-11)15(22)17-9-14(20)21/h1-8,19H,9H2,(H,17,22)(H,18,23)(H,20,21)
InChIKeyKTBLFGIVRJMOBX-UHFFFAOYSA-N
XLogP1.46
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]butanoic acid
CID 23118561
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
2-hydroxy-N-phenylbenzamide
CID 157209959
2-hydroxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 112810264
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
2-benzamidoacetic acid;hydrofluoride
CID 174760685
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid (CID 58944712) is 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1cccc(NC(=O)c2ccccc2O)c1.
What is the InChIKey of 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is KTBLFGIVRJMOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c19-13-7-2-1-6-12(13)16(23)18-11-5-3-4-10(8-11)15(22)17-9-14(20)21/h1-8,19H,9H2,(H,17,22)(H,18,23)(H,20,21).
What are the key properties of 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid?
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 314.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 58944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).