2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine

C13H16N2O10 — CID 160550590

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine
SMILESCC(=O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.c1cncnc1
InChIInChI=1S/C6H8O7.C4H4N2.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-4-6-3-1;1-2(4)3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-4H;1H3,(H,5,6)
InChIKeyQXZZZTJIURTRJD-UHFFFAOYSA-N
MW360.28 g/mol
LogP-1.11
Rot. Bonds6

About 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine

2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine (PubChem CID 160550590) has the molecular formula C13H16N2O10 and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine
PubChem CID160550590
Molecular FormulaC13H16N2O10
Molecular Weight360.28 g/mol
Exact Mass360.08
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine
SMILESCC(=O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.c1cncnc1
InChIInChI=1S/C6H8O7.C4H4N2.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-4-6-3-1;1-2(4)3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-4H;1H3,(H,5,6)
InChIKeyQXZZZTJIURTRJD-UHFFFAOYSA-N
XLogP-1.11
TPSA212.28 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine (CID 160550590) is 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine is CC(=O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.c1cncnc1.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine?
The InChIKey is QXZZZTJIURTRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H4N2.C3H4O3/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-5-4-6-3-1;1-2(4)3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-4H;1H3,(H,5,6).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine?
2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine has a molecular weight of 360.28 g/mol, XLogP of -1.11, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;2-oxopropanoic acid;pyrimidine is sourced from PubChem (CID 160550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).