(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid

C12H14FNO3 — CID 57167805

IUPAC(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(c2cccc(F)c2)CN1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-8-6-12(17,7-14(8)11(15)16)9-3-2-4-10(13)5-9/h2-5,8,17H,6-7H2,1H3,(H,15,16)/t8-,12?/m1/s1
InChIKeyYEFOGPAJCSAXBW-SZSXPDSJSA-N
MW239.25 g/mol
LogP1.79
Rot. Bonds1

About (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid

(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 57167805) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
PubChem CID57167805
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(O)(c2cccc(F)c2)CN1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-8-6-12(17,7-14(8)11(15)16)9-3-2-4-10(13)5-9/h2-5,8,17H,6-7H2,1H3,(H,15,16)/t8-,12?/m1/s1
InChIKeyYEFOGPAJCSAXBW-SZSXPDSJSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
3-(4-Fluoro-phenyl)-8-(2-hydroxy-ethyl)-8-aza-bicyclo[3.2.1]octan-3-ol
CID 649551
1-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-1-one
CID 3230886
3-(4-Fluorophenyl)pyrrolidin-3-ol
CID 200557
1,2-Dimethyl-3-phenylpyrrolidin-3-yl diethylcarbamate
CID 58447
3-(4-Fluorophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 200854
tert-Butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 65813955
Tert-butyl 3-(3-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 65918384
1,1-Dimethylethyl 3-(3,4-difluorophenyl)-3-hydroxy-1-azetidinecarboxylate
CID 65918807
Tert-butyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 66662569
Tert-butyl 3-hydroxy-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine-1-carboxylate
CID 140751856
1-[3-(2-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-1-one
CID 3230887

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid (CID 57167805) is (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid is C[C@@H]1CC(O)(c2cccc(F)c2)CN1C(=O)O.
What is the InChIKey of (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is YEFOGPAJCSAXBW-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-6-12(17,7-14(8)11(15)16)9-3-2-4-10(13)5-9/h2-5,8,17H,6-7H2,1H3,(H,15,16)/t8-,12?/m1/s1.
What are the key properties of (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid?
(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluorophenyl)-4-hydroxy-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 57167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).