1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

C12H14FNO2 — CID 3581738

IUPAC1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16)
InChIKeyXCRPHXSBEXPDQI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.87
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid

1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3581738) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3581738
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1ccccc1F
InChIInChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16)
InChIKeyXCRPHXSBEXPDQI-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
(2R)-1-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 170899024
[1-[1-[(2-fluorophenyl)methyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110607627
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
(2R)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 163320874
(2S)-1-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910425

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (CID 3581738) is 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XCRPHXSBEXPDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-14-7-3-6-11(14)12(15)16/h1-2,4-5,11H,3,6-8H2,(H,15,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3581738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).