(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid

C10H10O5 — CID 97034978

IUPAC(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid
SMILESCc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)O)o1
InChIInChI=1S/C10H10O5/c1-5-2-3-7(14-5)9-6(10(12)13)4-8(11)15-9/h2-3,6,9H,4H2,1H3,(H,12,13)/t6-,9-/m0/s1
InChIKeyQCGYKLWBGADXKX-RCOVLWMOSA-N
MW210.18 g/mol
LogP1.28
Rot. Bonds2

About (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid

(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid (PubChem CID 97034978) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid
PubChem CID97034978
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid
SMILESCc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)O)o1
InChIInChI=1S/C10H10O5/c1-5-2-3-7(14-5)9-6(10(12)13)4-8(11)15-9/h2-3,6,9H,4H2,1H3,(H,12,13)/t6-,9-/m0/s1
InChIKeyQCGYKLWBGADXKX-RCOVLWMOSA-N
XLogP1.28
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(2R,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
(2R,3R)-2-(4-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034913
(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034924
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
(2S,3R)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034968
(2S,3S)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034970
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410
(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034636
2-(4-cyanophenyl)-5-oxooxolane-3-carboxylic acid
CID 151580211
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid (CID 97034978) is (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid is Cc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)O)o1.
What is the InChIKey of (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid?
The InChIKey is QCGYKLWBGADXKX-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H10O5/c1-5-2-3-7(14-5)9-6(10(12)13)4-8(11)15-9/h2-3,6,9H,4H2,1H3,(H,12,13)/t6-,9-/m0/s1.
What are the key properties of (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid?
(2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid has a molecular weight of 210.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(5-methylfuran-2-yl)-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 97034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).