2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid

C13H11N3O5 — CID 43353075

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11N3O5/c17-10(5-7-6-11(18)16-13(21)14-7)15-9-4-2-1-3-8(9)12(19)20/h1-4,6H,5H2,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyGMBIENPGHPKTLW-UHFFFAOYSA-N
MW289.25 g/mol
LogP-0.06
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid (PubChem CID 43353075) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid
PubChem CID43353075
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11N3O5/c17-10(5-7-6-11(18)16-13(21)14-7)15-9-4-2-1-3-8(9)12(19)20/h1-4,6H,5H2,(H,15,17)(H,19,20)(H2,14,16,18,21)
InChIKeyGMBIENPGHPKTLW-UHFFFAOYSA-N
XLogP-0.06
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 24699302
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 63261949
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700152
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
CID 108804791
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
2-[[2-(benzenesulfonyloxy)acetyl]amino]benzoic acid
CID 163642514
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 110700033
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid (CID 43353075) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid?
The InChIKey is GMBIENPGHPKTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-10(5-7-6-11(18)16-13(21)14-7)15-9-4-2-1-3-8(9)12(19)20/h1-4,6H,5H2,(H,15,17)(H,19,20)(H2,14,16,18,21).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid has a molecular weight of 289.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43353075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).