(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid

C11H12FNO2 — CID 173047292

IUPAC(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyOPGLQMTVAFEDKF-WCBMZHEXSA-N
MW209.22 g/mol
LogP1.36
Rot. Bonds2

About (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 173047292) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID173047292
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](c2cccc(F)c2)CN1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1
InChIKeyOPGLQMTVAFEDKF-WCBMZHEXSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918
5-(3-fluorophenyl)-2-oxopiperidine-3-carboxylic acid
CID 165438358
methyl (2R,5S)-5-(3-fluorophenyl)piperidine-2-carboxylate
CID 96530452
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
2-[(4S)-4-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-oxoacetic acid;hydrochloride
CID 156632480
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
4-(3-fluorophenoxy)piperidine-2-carboxylic acid
CID 115043003
[5-(3-fluorophenyl)piperidin-2-yl]methanol
CID 117000449
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (CID 173047292) is (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@H](c2cccc(F)c2)CN1.
What is the InChIKey of (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OPGLQMTVAFEDKF-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-2-7(4-9)8-5-10(11(14)15)13-6-8/h1-4,8,10,13H,5-6H2,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 173047292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).