formic acid;4-hydroxy-2-oxopentanoic acid

C6H10O6 — CID 159880121

IUPACformic acid;4-hydroxy-2-oxopentanoic acid
SMILESCC(O)CC(=O)C(=O)O.O=CO
InChIInChI=1S/C5H8O4.CH2O2/c1-3(6)2-4(7)5(8)9;2-1-3/h3,6H,2H2,1H3,(H,8,9);1H,(H,2,3)
InChIKeyNTKNFUIMHGENGB-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.89
Rot. Bonds3

About formic acid;4-hydroxy-2-oxopentanoic acid

formic acid;4-hydroxy-2-oxopentanoic acid (PubChem CID 159880121) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is formic acid;4-hydroxy-2-oxopentanoic acid.

Molecular Properties

Compound Nameformic acid;4-hydroxy-2-oxopentanoic acid
PubChem CID159880121
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Nameformic acid;4-hydroxy-2-oxopentanoic acid
SMILESCC(O)CC(=O)C(=O)O.O=CO
InChIInChI=1S/C5H8O4.CH2O2/c1-3(6)2-4(7)5(8)9;2-1-3/h3,6H,2H2,1H3,(H,8,9);1H,(H,2,3)
InChIKeyNTKNFUIMHGENGB-UHFFFAOYSA-N
XLogP-0.89
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2,5-dioxopentanoic acid
CID 163405135
(4R,5R)-4,5-dihydroxy-2-oxohexanoic acid
CID 5459929
2-(chloromethylidene)-4-hydroxypentanoic acid
CID 140577879
potassium 4-hydroxy-2-oxopentanoate
CID 169441902
formic acid;2-oxobutanoic acid
CID 121364705
2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
2-oxo-4-sulfanylpentanoic acid
CID 88696921
sodium;hydride;4-methyl-2-oxopentanoic acid
CID 173063393
CID 90459779
CID 90459779
2-oxoethyl 4-hydroxy-2-oxopentanoate
CID 87138490
calcium;formic acid;bis(2-hydroxypropanoate)
CID 159892709
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884

Frequently Asked Questions

What is the IUPAC name of formic acid;4-hydroxy-2-oxopentanoic acid?
The IUPAC name of formic acid;4-hydroxy-2-oxopentanoic acid (CID 159880121) is formic acid;4-hydroxy-2-oxopentanoic acid.
What is the SMILES notation for formic acid;4-hydroxy-2-oxopentanoic acid?
The canonical SMILES for formic acid;4-hydroxy-2-oxopentanoic acid is CC(O)CC(=O)C(=O)O.O=CO.
What is the InChIKey of formic acid;4-hydroxy-2-oxopentanoic acid?
The InChIKey is NTKNFUIMHGENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.CH2O2/c1-3(6)2-4(7)5(8)9;2-1-3/h3,6H,2H2,1H3,(H,8,9);1H,(H,2,3).
What are the key properties of formic acid;4-hydroxy-2-oxopentanoic acid?
formic acid;4-hydroxy-2-oxopentanoic acid has a molecular weight of 178.14 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-hydroxy-2-oxopentanoic acid is sourced from PubChem (CID 159880121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).