(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid

C6H8O4 — CID 54708928

IUPAC(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid
SMILESCC(=O)/C(O)=C(\C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3(6(9)10)5(8)4(2)7/h8H,1-2H3,(H,9,10)/b5-3-
InChIKeyZCKZQWNSEGFFBA-HYXAFXHYSA-N
MW144.13 g/mol
LogP0.49
Rot. Bonds2

About (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid

(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid (PubChem CID 54708928) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid
PubChem CID54708928
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid
SMILESCC(=O)/C(O)=C(\C)C(=O)O
InChIInChI=1S/C6H8O4/c1-3(6(9)10)5(8)4(2)7/h8H,1-2H3,(H,9,10)/b5-3-
InChIKeyZCKZQWNSEGFFBA-HYXAFXHYSA-N
XLogP0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-dimethylbut-2-enedioic acid
CID 88647549
3,4-dihydroxyhex-3-ene-2,5-dione
CID 71436526
manganese(2+);2-oxopropanoic acid
CID 162367990
sodium;(Z)-2,3-dimethylbut-2-enedioic acid;hydride
CID 175588554
strontium 2-oxopropanoic acid
CID 10154276
CID 131870939
CID 131870939
iridium;2-oxopropanoic acid
CID 174870791
carbonic acid;2,3-dimethylbut-2-enoic acid
CID 175072330
sodium;2-oxopropanoic acid;chloride
CID 173324944
2-oxopropanoic acid;titanium;zirconium
CID 174908427
3-iodo-2-methylbut-2-enoic acid
CID 174595500
3-amino-2-methylbut-2-enoic acid
CID 6713463

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid?
The IUPAC name of (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid (CID 54708928) is (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid.
What is the SMILES notation for (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid?
The canonical SMILES for (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid is CC(=O)/C(O)=C(\C)C(=O)O.
What is the InChIKey of (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid?
The InChIKey is ZCKZQWNSEGFFBA-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3(6(9)10)5(8)4(2)7/h8H,1-2H3,(H,9,10)/b5-3-.
What are the key properties of (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid?
(Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-2-methyl-4-oxopent-2-enoic acid is sourced from PubChem (CID 54708928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).