2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid

C11H12FNO2 — CID 70487750

IUPAC2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CCCN1
InChIInChI=1S/C11H12FNO2/c12-9-4-1-3-8(7-9)11(10(14)15)5-2-6-13-11/h1,3-4,7,13H,2,5-6H2,(H,14,15)
InChIKeyKZRCBGCQWPGHQX-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.49
Rot. Bonds2

About 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid

2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 70487750) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID70487750
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CCCN1
InChIInChI=1S/C11H12FNO2/c12-9-4-1-3-8(7-9)11(10(14)15)5-2-6-13-11/h1,3-4,7,13H,2,5-6H2,(H,14,15)
InChIKeyKZRCBGCQWPGHQX-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
CID 141351322
(2R)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141351332
2-[2-(3-fluorophenyl)azetidin-2-yl]acetic acid
CID 115059052
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115037049
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine;hydrochloride
CID 115049370
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
4-(3-fluorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681784

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid (CID 70487750) is 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(c2cccc(F)c2)CCCN1.
What is the InChIKey of 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KZRCBGCQWPGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-4-1-3-8(7-9)11(10(14)15)5-2-6-13-11/h1,3-4,7,13H,2,5-6H2,(H,14,15).
What are the key properties of 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid?
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70487750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).