(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid

C11H10O4 — CID 825874

IUPAC(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C11H10O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyLRMTVZBRYDTDCU-WCBMZHEXSA-N
MW206.20 g/mol
LogP1.38
Rot. Bonds2

About (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid (PubChem CID 825874) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
PubChem CID825874
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)[C@@H](c2ccccc2)O1
InChIInChI=1S/C11H10O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,13,14)/t8-,10+/m0/s1
InChIKeyLRMTVZBRYDTDCU-WCBMZHEXSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(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
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422
2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 102547393
(2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxooxolane-3-carboxylic acid
CID 95166968
(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 7301249

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid?
The IUPAC name of (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid (CID 825874) is (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid?
The canonical SMILES for (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid is O=C1C[C@H](C(=O)O)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid?
The InChIKey is LRMTVZBRYDTDCU-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H10O4/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,13,14)/t8-,10+/m0/s1.
What are the key properties of (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid?
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid is sourced from PubChem (CID 825874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).