2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid

C8H8N4O4 — CID 135755332

IUPAC2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid
SMILESO=C(O)CC1Nc2c(nc[nH]c2=O)NC1=O
InChIInChI=1S/C8H8N4O4/c13-4(14)1-3-7(15)12-6-5(11-3)8(16)10-2-9-6/h2-3,11H,1H2,(H,13,14)(H2,9,10,12,15,16)
InChIKeyMWJYPCAROPIBPJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP-1.02
Rot. Bonds2

About 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid

2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid (PubChem CID 135755332) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid
PubChem CID135755332
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid
SMILESO=C(O)CC1Nc2c(nc[nH]c2=O)NC1=O
InChIInChI=1S/C8H8N4O4/c13-4(14)1-3-7(15)12-6-5(11-3)8(16)10-2-9-6/h2-3,11H,1H2,(H,13,14)(H2,9,10,12,15,16)
InChIKeyMWJYPCAROPIBPJ-UHFFFAOYSA-N
XLogP-1.02
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butanoic acid, 4-(4-amino-6-hydroxy-5-pyrimidinylamino)-4-oxo-
CID 135577455
2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6,7-dicarboxylic acid
CID 136676239
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958376
2-[1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958961
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanedioic acid
CID 136959395
2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
CID 137015822

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid?
The IUPAC name of 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid (CID 135755332) is 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid.
What is the SMILES notation for 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid?
The canonical SMILES for 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid is O=C(O)CC1Nc2c(nc[nH]c2=O)NC1=O.
What is the InChIKey of 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid?
The InChIKey is MWJYPCAROPIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-4(14)1-3-7(15)12-6-5(11-3)8(16)10-2-9-6/h2-3,11H,1H2,(H,13,14)(H2,9,10,12,15,16).
What are the key properties of 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid?
2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid has a molecular weight of 224.18 g/mol, XLogP of -1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dioxo-3,5,6,8-tetrahydropteridin-6-yl)acetic acid is sourced from PubChem (CID 135755332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).