2-oxopentanedioic acid;propanoic acid

C8H12O7 — CID 159621051

IUPAC2-oxopentanedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)CCC(=O)C(=O)O
InChIInChI=1S/C5H6O5.C3H6O2/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h1-2H2,(H,7,8)(H,9,10);2H2,1H3,(H,4,5)
InChIKeyMNWVSSAJPJQCDT-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.01
Rot. Bonds5

About 2-oxopentanedioic acid;propanoic acid

2-oxopentanedioic acid;propanoic acid (PubChem CID 159621051) has the molecular formula C8H12O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-oxopentanedioic acid;propanoic acid.

Molecular Properties

Compound Name2-oxopentanedioic acid;propanoic acid
PubChem CID159621051
Molecular FormulaC8H12O7
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name2-oxopentanedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)CCC(=O)C(=O)O
InChIInChI=1S/C5H6O5.C3H6O2/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h1-2H2,(H,7,8)(H,9,10);2H2,1H3,(H,4,5)
InChIKeyMNWVSSAJPJQCDT-UHFFFAOYSA-N
XLogP-0.01
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxopentanedioic acid;propanoic 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

butanedioic acid;2-oxopentanedioic acid
CID 87572846
CID 87242342
CID 87242342
lanthanum;2-oxopentanedioic acid
CID 174979483
magnesium;hydride;2-oxopentanedioic acid
CID 173080556
2,5-dioxoheptanoic acid
CID 18004594
2-oxobutanoic acid;hydrate
CID 87187128
5-oxohexanoic acid;2-oxopentanedioic acid
CID 158756132
2-oxopentanedioic acid;propane-1,2,3-triol
CID 172704231
butane;butanedioic acid
CID 158477539
nickel;propanoic acid
CID 54601332
alumane;propanoic acid
CID 173234599
mercury(2+);propanoic acid
CID 23623813

Frequently Asked Questions

What is the IUPAC name of 2-oxopentanedioic acid;propanoic acid?
The IUPAC name of 2-oxopentanedioic acid;propanoic acid (CID 159621051) is 2-oxopentanedioic acid;propanoic acid.
What is the SMILES notation for 2-oxopentanedioic acid;propanoic acid?
The canonical SMILES for 2-oxopentanedioic acid;propanoic acid is CCC(=O)O.O=C(O)CCC(=O)C(=O)O.
What is the InChIKey of 2-oxopentanedioic acid;propanoic acid?
The InChIKey is MNWVSSAJPJQCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5.C3H6O2/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5/h1-2H2,(H,7,8)(H,9,10);2H2,1H3,(H,4,5).
What are the key properties of 2-oxopentanedioic acid;propanoic acid?
2-oxopentanedioic acid;propanoic acid has a molecular weight of 220.18 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentanedioic acid;propanoic acid is sourced from PubChem (CID 159621051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).