ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate

C14H13N3O6 — CID 15947078

IUPACethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O6/c1-2-23-13(21)7-5-3-4-6-8(7)15-10(18)9-11(19)16-14(22)17-12(9)20/h3-6H,2H2,1H3,(H,15,18)(H3,16,17,19,20,22)
InChIKeyOCMCPFPFSHSNFL-UHFFFAOYSA-N
MW319.27 g/mol
LogP0.20
Rot. Bonds4

About ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate

ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate (PubChem CID 15947078) has the molecular formula C14H13N3O6 and a molecular weight of 319.27 g/mol. Its IUPAC name is ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
PubChem CID15947078
Molecular FormulaC14H13N3O6
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Nameethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O6/c1-2-23-13(21)7-5-3-4-6-8(7)15-10(18)9-11(19)16-14(22)17-12(9)20/h3-6H,2H2,1H3,(H,15,18)(H3,16,17,19,20,22)
InChIKeyOCMCPFPFSHSNFL-UHFFFAOYSA-N
XLogP0.20
TPSA141.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
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ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
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[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
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ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl 2-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 2063087
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate (CID 15947078) is ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is OCMCPFPFSHSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6/c1-2-23-13(21)7-5-3-4-6-8(7)15-10(18)9-11(19)16-14(22)17-12(9)20/h3-6H,2H2,1H3,(H,15,18)(H3,16,17,19,20,22).
What are the key properties of ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate?
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 319.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 15947078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).