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

C24H20FNO3 — CID 170163891

IUPAC(2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](F)[C@@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO3/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/h1-13,20-22,27H,14H2,(H,28,29)/t20-,21-,22+/m0/s1
InChIKeyNUPJIWBDJNKAMX-FDFHNCONSA-N
MW389.43 g/mol
LogP3.43
Rot. Bonds3

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

(2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid (PubChem CID 170163891) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
PubChem CID170163891
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name(2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](F)[C@@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO3/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/h1-13,20-22,27H,14H2,(H,28,29)/t20-,21-,22+/m0/s1
InChIKeyNUPJIWBDJNKAMX-FDFHNCONSA-N
XLogP3.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid (CID 170163891) is (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1[C@@H](F)[C@@H](O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is NUPJIWBDJNKAMX-FDFHNCONSA-N. The full InChI is InChI=1S/C24H20FNO3/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/h1-13,20-22,27H,14H2,(H,28,29)/t20-,21-,22+/m0/s1.
What are the key properties of (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid?
(2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-3-fluoro-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 170163891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).