lanthanum;2-oxopentanedioic acid

C5H6LaO5 — CID 174979483

IUPAClanthanum;2-oxopentanedioic acid
SMILESO=C(O)CCC(=O)C(=O)O.[La]
InChIInChI=1S/C5H6O5.La/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);
InChIKeyACCOSHBAPUMELG-UHFFFAOYSA-N
MW285.00 g/mol
LogP-0.50
Rot. Bonds4

About lanthanum;2-oxopentanedioic acid

lanthanum;2-oxopentanedioic acid (PubChem CID 174979483) has the molecular formula C5H6LaO5 and a molecular weight of 285.00 g/mol. Its IUPAC name is lanthanum;2-oxopentanedioic acid.

Molecular Properties

Compound Namelanthanum;2-oxopentanedioic acid
PubChem CID174979483
Molecular FormulaC5H6LaO5
Molecular Weight285.00 g/mol
Exact Mass284.93
IUPAC Namelanthanum;2-oxopentanedioic acid
SMILESO=C(O)CCC(=O)C(=O)O.[La]
InChIInChI=1S/C5H6O5.La/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);
InChIKeyACCOSHBAPUMELG-UHFFFAOYSA-N
XLogP-0.50
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.00
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;2-oxopentanedioic acid
CID 87572846
CID 87242342
CID 87242342
magnesium;hydride;2-oxopentanedioic acid
CID 173080556
2-oxopentanedioic acid;propanoic acid
CID 159621051
2-oxopentanedioic acid;propane-1,2,3-triol
CID 172704231
5-oxohexanoic acid;2-oxopentanedioic acid
CID 158756132
2-oxotridecanedioic acid
CID 57104850
2-oxononadecanedioic acid
CID 19882771
bis(butanedioic acid);carbonic acid
CID 159577506
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713

Frequently Asked Questions

What is the IUPAC name of lanthanum;2-oxopentanedioic acid?
The IUPAC name of lanthanum;2-oxopentanedioic acid (CID 174979483) is lanthanum;2-oxopentanedioic acid.
What is the SMILES notation for lanthanum;2-oxopentanedioic acid?
The canonical SMILES for lanthanum;2-oxopentanedioic acid is O=C(O)CCC(=O)C(=O)O.[La].
What is the InChIKey of lanthanum;2-oxopentanedioic acid?
The InChIKey is ACCOSHBAPUMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O5.La/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);.
What are the key properties of lanthanum;2-oxopentanedioic acid?
lanthanum;2-oxopentanedioic acid has a molecular weight of 285.00 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;2-oxopentanedioic acid is sourced from PubChem (CID 174979483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).