(2S)-5-oxo-2H-furan-2-carboxylic acid

C5H4O4 — CID 69143944

IUPAC(2S)-5-oxo-2H-furan-2-carboxylic acid
SMILESO=C1C=C[C@@H](C(=O)O)O1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-3H,(H,7,8)/t3-/m0/s1
InChIKeyCKQNLYGIOFHABQ-VKHMYHEASA-N
MW128.08 g/mol
LogP-0.45
Rot. Bonds1

About (2S)-5-oxo-2H-furan-2-carboxylic acid

(2S)-5-oxo-2H-furan-2-carboxylic acid (PubChem CID 69143944) has the molecular formula C5H4O4 and a molecular weight of 128.08 g/mol. Its IUPAC name is (2S)-5-oxo-2H-furan-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo-2H-furan-2-carboxylic acid
PubChem CID69143944
Molecular FormulaC5H4O4
Molecular Weight128.08 g/mol
Exact Mass128.01
IUPAC Name(2S)-5-oxo-2H-furan-2-carboxylic acid
SMILESO=C1C=C[C@@H](C(=O)O)O1
InChIInChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-3H,(H,7,8)/t3-/m0/s1
InChIKeyCKQNLYGIOFHABQ-VKHMYHEASA-N
XLogP-0.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2(5H)-furanone
CID 144863
2,5-Dihydro-2-furancarboxylic acid
CID 12200717
(S)-(-)-5-Hydroxymethyl-2(5H)-furanone
CID 10176122
5-Methyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634720
Kyessfqxdakjmm-uhfffaoysa-
CID 21728707
trans-5-Methyl-2,5-dihydro-2-furoic acid
CID 96005265
(2R)-2-[(Z)-1,2-dihydroxyethenyl]-3,4-dihydroxy-2H-furan-5-one
CID 129630817
6,6,6-Trifluoro-2-methoxy-5-oxohex-3-enoic acid
CID 90781863
(R)-5-(Hydroxymethyl)furan-2(5H)-one
CID 2725000
2-Hydroxy-5-oxofuran-2-carboxylic acid
CID 10844502
4-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 21728710
5-Ethyl-2,5-dihydrofuran-2-carboxylic acid
CID 12634721

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-2H-furan-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo-2H-furan-2-carboxylic acid (CID 69143944) is (2S)-5-oxo-2H-furan-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo-2H-furan-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo-2H-furan-2-carboxylic acid is O=C1C=C[C@@H](C(=O)O)O1.
What is the InChIKey of (2S)-5-oxo-2H-furan-2-carboxylic acid?
The InChIKey is CKQNLYGIOFHABQ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H4O4/c6-4-2-1-3(9-4)5(7)8/h1-3H,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-5-oxo-2H-furan-2-carboxylic acid?
(2S)-5-oxo-2H-furan-2-carboxylic acid has a molecular weight of 128.08 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-2H-furan-2-carboxylic acid is sourced from PubChem (CID 69143944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).