(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid

C24H18FNO3 — CID 134349044

IUPAC(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)[C@H](C(=O)O)[C@@H]1F
InChIInChI=1S/C24H18FNO3/c25-21-20(27)14-26(22(21)23(28)29)24(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)24/h1-13,21-22H,14H2,(H,28,29)/t21-,22+/m1/s1
InChIKeyISXSQQBURIODOR-YADHBBJMSA-N
MW387.41 g/mol
LogP3.63
Rot. Bonds3

About (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid

(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid (PubChem CID 134349044) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
PubChem CID134349044
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)[C@H](C(=O)O)[C@@H]1F
InChIInChI=1S/C24H18FNO3/c25-21-20(27)14-26(22(21)23(28)29)24(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)24/h1-13,21-22H,14H2,(H,28,29)/t21-,22+/m1/s1
InChIKeyISXSQQBURIODOR-YADHBBJMSA-N
XLogP3.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid (CID 134349044) is (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid is O=C1CN(C2(c3ccccc3)c3ccccc3-c3ccccc32)[C@H](C(=O)O)[C@@H]1F.
What is the InChIKey of (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ISXSQQBURIODOR-YADHBBJMSA-N. The full InChI is InChI=1S/C24H18FNO3/c25-21-20(27)14-26(22(21)23(28)29)24(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)24/h1-13,21-22H,14H2,(H,28,29)/t21-,22+/m1/s1.
What are the key properties of (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
(2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 134349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).