2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid

C13H11N3O6 — CID 122423584

IUPAC2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H11N3O6/c17-8(18)5-6-1-3-7(4-2-6)14-10(19)9-11(20)15-13(22)16-12(9)21/h1-4H,5H2,(H,14,19)(H,17,18)(H3,15,16,20,21,22)
InChIKeyFSNBXJLTHLEQSS-UHFFFAOYSA-N
MW305.25 g/mol
LogP-0.35
Rot. Bonds4

About 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid

2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid (PubChem CID 122423584) has the molecular formula C13H11N3O6 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
PubChem CID122423584
Molecular FormulaC13H11N3O6
Molecular Weight305.25 g/mol
Exact Mass305.06
IUPAC Name2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H11N3O6/c17-8(18)5-6-1-3-7(4-2-6)14-10(19)9-11(20)15-13(22)16-12(9)21/h1-4H,5H2,(H,14,19)(H,17,18)(H3,15,16,20,21,22)
InChIKeyFSNBXJLTHLEQSS-UHFFFAOYSA-N
XLogP-0.35
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid with MolForge

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Related Compounds

6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 140796838
6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 123458521
2-[4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 24696781
N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 134533754
6-hydroxy-2,4-dioxo-N-(2-oxo-1H-pyridin-4-yl)-1H-pyrimidine-5-carboxamide
CID 118313500
2-[4-[(5-oxo-1,4-dihydropyrazole-3-carbonyl)amino]phenyl]acetic acid
CID 110467839
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
4-[4-(carboxymethyl)anilino]-4-oxobut-2-enoic acid
CID 53395773
2-[4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28741876
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid (CID 122423584) is 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid?
The InChIKey is FSNBXJLTHLEQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6/c17-8(18)5-6-1-3-7(4-2-6)14-10(19)9-11(20)15-13(22)16-12(9)21/h1-4H,5H2,(H,14,19)(H,17,18)(H3,15,16,20,21,22).
What are the key properties of 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid?
2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid has a molecular weight of 305.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 122423584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).