(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid

C11H9BrO4 — CID 97034636

IUPAC(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@H](c2cccc(Br)c2)O1
InChIInChI=1S/C11H9BrO4/c12-7-3-1-2-6(4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyFSZXXWCBODRVKI-SCZZXKLOSA-N
MW285.09 g/mol
LogP2.14
Rot. Bonds2

About (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid

(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid (PubChem CID 97034636) has the molecular formula C11H9BrO4 and a molecular weight of 285.09 g/mol. Its IUPAC name is (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
PubChem CID97034636
Molecular FormulaC11H9BrO4
Molecular Weight285.09 g/mol
Exact Mass283.97
IUPAC Name(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)[C@H](c2cccc(Br)c2)O1
InChIInChI=1S/C11H9BrO4/c12-7-3-1-2-6(4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1
InChIKeyFSZXXWCBODRVKI-SCZZXKLOSA-N
XLogP2.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
2-(3-fluorophenyl)-5-oxooxolane-3-carboxylic acid
CID 102547443
(2R,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxooxolane-3-carboxylic acid
CID 95166968
2-(3-chloro-4-hydroxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 102547393
(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)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
2-(4-cyanophenyl)-5-oxooxolane-3-carboxylic acid
CID 151580211
(2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid;1-phenylethanamine
CID 10131410
(2S,3S)-2-(3-bromophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 102534139
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid (CID 97034636) is (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid is O=C1C[C@@H](C(=O)O)[C@H](c2cccc(Br)c2)O1.
What is the InChIKey of (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid?
The InChIKey is FSZXXWCBODRVKI-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H9BrO4/c12-7-3-1-2-6(4-7)10-8(11(14)15)5-9(13)16-10/h1-4,8,10H,5H2,(H,14,15)/t8-,10+/m1/s1.
What are the key properties of (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid?
(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 97034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).