sodium;4-oxopentanoate;4-oxopentanoic acid

C10H15NaO6 — CID 159759335

IUPACsodium;4-oxopentanoate;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CC(=O)CCC(=O)[O-].[Na+]
InChIInChI=1S/2C5H8O3.Na/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+1/p-1
InChIKeyNERFSHOHJSQOMN-UHFFFAOYSA-M
MW254.21 g/mol
LogP-3.45
Rot. Bonds6

About sodium;4-oxopentanoate;4-oxopentanoic acid

sodium;4-oxopentanoate;4-oxopentanoic acid (PubChem CID 159759335) has the molecular formula C10H15NaO6 and a molecular weight of 254.21 g/mol. Its IUPAC name is sodium;4-oxopentanoate;4-oxopentanoic acid.

Molecular Properties

Compound Namesodium;4-oxopentanoate;4-oxopentanoic acid
PubChem CID159759335
Molecular FormulaC10H15NaO6
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Namesodium;4-oxopentanoate;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CC(=O)CCC(=O)[O-].[Na+]
InChIInChI=1S/2C5H8O3.Na/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+1/p-1
InChIKeyNERFSHOHJSQOMN-UHFFFAOYSA-M
XLogP-3.45
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-3.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;4-oxopentanoate;4-oxopentanoic acid?
The IUPAC name of sodium;4-oxopentanoate;4-oxopentanoic acid (CID 159759335) is sodium;4-oxopentanoate;4-oxopentanoic acid.
What is the SMILES notation for sodium;4-oxopentanoate;4-oxopentanoic acid?
The canonical SMILES for sodium;4-oxopentanoate;4-oxopentanoic acid is CC(=O)CCC(=O)O.CC(=O)CCC(=O)[O-].[Na+].
What is the InChIKey of sodium;4-oxopentanoate;4-oxopentanoic acid?
The InChIKey is NERFSHOHJSQOMN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H8O3.Na/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+1/p-1.
What are the key properties of sodium;4-oxopentanoate;4-oxopentanoic acid?
sodium;4-oxopentanoate;4-oxopentanoic acid has a molecular weight of 254.21 g/mol, XLogP of -3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-oxopentanoate;4-oxopentanoic acid is sourced from PubChem (CID 159759335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).