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

C11H12FNO2 — CID 97001038

IUPAC(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15)/t9-,10+/m0/s1
InChIKeyCHUPKCBCMLACTB-VHSXEESVSA-N
MW209.22 g/mol
LogP1.36
Rot. Bonds2

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

(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 97001038) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID97001038
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1NCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H12FNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15)/t9-,10+/m0/s1
InChIKeyCHUPKCBCMLACTB-VHSXEESVSA-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

3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 106534590
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
3-(3-carboxyphenyl)piperidine-2-carboxylic acid
CID 165483280
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
CID 174374754

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (CID 97001038) is (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1NCC[C@H]1c1cccc(F)c1.
What is the InChIKey of (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CHUPKCBCMLACTB-VHSXEESVSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-3,6,9-10,13H,4-5H2,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
(2R,3S)-3-(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,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 97001038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).