2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

C13H11N3O5 — CID 43358285

IUPAC2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cccnc1=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H11N3O5/c17-10-6-8(2-3-9(10)12(19)20)15-11(18)7-16-5-1-4-14-13(16)21/h1-6,17H,7H2,(H,15,18)(H,19,20)
InChIKeyXPXMLLKYUPIKIL-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.29
Rot. Bonds4

About 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 43358285) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
PubChem CID43358285
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(Cn1cccnc1=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C13H11N3O5/c17-10-6-8(2-3-9(10)12(19)20)15-11(18)7-16-5-1-4-14-13(16)21/h1-6,17H,7H2,(H,15,18)(H,19,20)
InChIKeyXPXMLLKYUPIKIL-UHFFFAOYSA-N
XLogP0.29
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (CID 43358285) is 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is O=C(Cn1cccnc1=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is XPXMLLKYUPIKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-10-6-8(2-3-9(10)12(19)20)15-11(18)7-16-5-1-4-14-13(16)21/h1-6,17H,7H2,(H,15,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 289.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43358285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).