CID 131870939

C3H4NaO3 — CID 131870939

IUPAC—
SMILES[13CH3]C(=O)C(=O)O.[Na]
InChIInChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/i1+1;
InChIKeyDAQHMCWYXJEOCG-YTBWXGASSA-N
MW112.04 g/mol
LogP-0.72
Rot. Bonds1

About CID 131870939

CID 131870939 (PubChem CID 131870939) has the molecular formula C3H4NaO3 and a molecular weight of 112.04 g/mol.

Molecular Properties

Compound NameCID 131870939
PubChem CID131870939
Molecular FormulaC3H4NaO3
Molecular Weight112.04 g/mol
Exact Mass112.01
IUPAC Name—
SMILES[13CH3]C(=O)C(=O)O.[Na]
InChIInChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/i1+1;
InChIKeyDAQHMCWYXJEOCG-YTBWXGASSA-N
XLogP-0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.04
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 131870939 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

manganese(2+);2-oxopropanoic acid
CID 162367990
strontium 2-oxopropanoic acid
CID 10154276
iridium;2-oxopropanoic acid
CID 174870791
sodium;2-oxopropanoic acid;chloride
CID 173324944
2-oxopropanoic acid;titanium;zirconium
CID 174908427
ethanol;bis(2-oxopropanoic acid)
CID 159682391
trilithium;bis(2-oxopropanoic acid);borate
CID 175964793
CID 158189288
CID 158189288
butane-2,3-dione;carbonic acid
CID 174891727
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
sodium;hydride;2-oxopropanoic acid;selenous acid
CID 173349009
bromo(trifluoro)methane;2-oxopropanoic acid
CID 174527725

Frequently Asked Questions

What is the IUPAC name of CID 131870939?
The IUPAC name of CID 131870939 (CID 131870939) is not available.
What is the SMILES notation for CID 131870939?
The canonical SMILES for CID 131870939 is [13CH3]C(=O)C(=O)O.[Na].
What is the InChIKey of CID 131870939?
The InChIKey is DAQHMCWYXJEOCG-YTBWXGASSA-N. The full InChI is InChI=1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/i1+1;.
What are the key properties of CID 131870939?
CID 131870939 has a molecular weight of 112.04 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131870939 is sourced from PubChem (CID 131870939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).