2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

C19H11Cl4N3O6 — CID 24831198

IUPAC2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(-c2c(Cl)cccc2Cl)c(=O)n(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl4N3O6/c20-8-3-1-4-9(21)14(8)25-17(30)13(16(29)24-7-12(27)28)18(31)26(19(25)32)15-10(22)5-2-6-11(15)23/h1-6,30H,7H2,(H,24,29)(H,27,28)
InChIKeyYCQJFXFDUDVMTF-UHFFFAOYSA-N
MW519.12 g/mol
LogP3.12
Rot. Bonds5

About 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid

2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24831198) has the molecular formula C19H11Cl4N3O6 and a molecular weight of 519.12 g/mol. Its IUPAC name is 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24831198
Molecular FormulaC19H11Cl4N3O6
Molecular Weight519.12 g/mol
Exact Mass516.94
IUPAC Name2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(-c2c(Cl)cccc2Cl)c(=O)n(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H11Cl4N3O6/c20-8-3-1-4-9(21)14(8)25-17(30)13(16(29)24-7-12(27)28)18(31)26(19(25)32)15-10(22)5-2-6-11(15)23/h1-6,30H,7H2,(H,24,29)(H,27,28)
InChIKeyYCQJFXFDUDVMTF-UHFFFAOYSA-N
XLogP3.12
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.12
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 130351642
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
2-[[1-benzyl-4-hydroxy-3-[(3-isocyanophenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 59313200
2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238190
2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-2,4-dioxo-3-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 24832001
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
2-[[8-(2-chlorophenyl)-4-hydroxy-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734815
(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 67105909
2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238073
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24831198) is 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(-c2c(Cl)cccc2Cl)c(=O)n(-c2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is YCQJFXFDUDVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3O6/c20-8-3-1-4-9(21)14(8)25-17(30)13(16(29)24-7-12(27)28)18(31)26(19(25)32)15-10(22)5-2-6-11(15)23/h1-6,30H,7H2,(H,24,29)(H,27,28).
What are the key properties of 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 519.12 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-bis(2,6-dichlorophenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).