2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid

C8H10O5 — CID 23249736

IUPAC2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid
SMILESCCC1=C(O)C(=O)OC1CC(=O)O
InChIInChI=1S/C8H10O5/c1-2-4-5(3-6(9)10)13-8(12)7(4)11/h5,11H,2-3H2,1H3,(H,9,10)
InChIKeyGSGNLXOKFZTBJS-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.61
Rot. Bonds3

About 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid

2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid (PubChem CID 23249736) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid
PubChem CID23249736
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid
SMILESCCC1=C(O)C(=O)OC1CC(=O)O
InChIInChI=1S/C8H10O5/c1-2-4-5(3-6(9)10)13-8(12)7(4)11/h5,11H,2-3H2,1H3,(H,9,10)
InChIKeyGSGNLXOKFZTBJS-UHFFFAOYSA-N
XLogP0.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,5-Dihydro-3-hydroxy-5-oxo-4-(1-oxobutyl)-2-furanacetic acid
CID 54687841
2(5H)Furanone, 3-butyl-4-hydroxy-
CID 54676120
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexanoate
CID 54728364
(2R)-4-Methyl-5-oxo-2-propyl-2,5-dihydrofuran-3-carboxylic acid
CID 71360444
4-Carboxymethyl-2,3-dimethylbut-2-en-1,4
CID 85713729
Carlosic acid methyl ester
CID 122391261
4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
CID 154700504
Ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
CID 54703114
Caproyl ascorbate
CID 68444296
2-(3,4-dimethyl-5-oxo-2H-uran-2-yl)acetic acid
CID 130841450
ethyl 2-butyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 54684867
4-[(2R)-3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl]-4-oxobutanoic acid
CID 101289813

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid (CID 23249736) is 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid is CCC1=C(O)C(=O)OC1CC(=O)O.
What is the InChIKey of 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid?
The InChIKey is GSGNLXOKFZTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-2-4-5(3-6(9)10)13-8(12)7(4)11/h5,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid?
2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid has a molecular weight of 186.16 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid is sourced from PubChem (CID 23249736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).