bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate

C24H24F4N2O5 — CID 175017234

IUPACbis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate
SMILESO=C(CC(O)C(=O)ON1CCC[C@@H]1c1cc(F)ccc1F)ON1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C24H24F4N2O5/c25-14-5-7-18(27)16(11-14)20-3-1-9-29(20)34-23(32)13-22(31)24(33)35-30-10-2-4-21(30)17-12-15(26)6-8-19(17)28/h5-8,11-12,20-22,31H,1-4,9-10,13H2/t20-,21-,22?/m1/s1
InChIKeyYOSVLXXDEQKUNI-JAZPPYFYSA-N
MW496.46 g/mol
LogP3.88
Rot. Bonds7

About bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate

bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate (PubChem CID 175017234) has the molecular formula C24H24F4N2O5 and a molecular weight of 496.46 g/mol. Its IUPAC name is bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate.

Molecular Properties

Compound Namebis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate
PubChem CID175017234
Molecular FormulaC24H24F4N2O5
Molecular Weight496.46 g/mol
Exact Mass496.16
IUPAC Namebis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate
SMILESO=C(CC(O)C(=O)ON1CCC[C@@H]1c1cc(F)ccc1F)ON1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C24H24F4N2O5/c25-14-5-7-18(27)16(11-14)20-3-1-9-29(20)34-23(32)13-22(31)24(33)35-30-10-2-4-21(30)17-12-15(26)6-8-19(17)28/h5-8,11-12,20-22,31H,1-4,9-10,13H2/t20-,21-,22?/m1/s1
InChIKeyYOSVLXXDEQKUNI-JAZPPYFYSA-N
XLogP3.88
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate?
The IUPAC name of bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate (CID 175017234) is bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate.
What is the SMILES notation for bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate?
The canonical SMILES for bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate is O=C(CC(O)C(=O)ON1CCC[C@@H]1c1cc(F)ccc1F)ON1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate?
The InChIKey is YOSVLXXDEQKUNI-JAZPPYFYSA-N. The full InChI is InChI=1S/C24H24F4N2O5/c25-14-5-7-18(27)16(11-14)20-3-1-9-29(20)34-23(32)13-22(31)24(33)35-30-10-2-4-21(30)17-12-15(26)6-8-19(17)28/h5-8,11-12,20-22,31H,1-4,9-10,13H2/t20-,21-,22?/m1/s1.
What are the key properties of bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate?
bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate has a molecular weight of 496.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl] 2-hydroxybutanedioate is sourced from PubChem (CID 175017234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).