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

C12H14FNO2 — CID 2761825

IUPAC(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2F)CCCN1
InChIInChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12/h1-2,4-5,14H,3,6-8H2,(H,15,16)/t12-/m1/s1
InChIKeyBWPBAGONMSRISC-GFCCVEGCSA-N
MW223.25 g/mol
LogP1.58
Rot. Bonds3

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

(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 2761825) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID2761825
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2F)CCCN1
InChIInChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12/h1-2,4-5,14H,3,6-8H2,(H,15,16)/t12-/m1/s1
InChIKeyBWPBAGONMSRISC-GFCCVEGCSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398104
2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398103
2-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398043
2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 115103755
(2R)-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761894
(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761904
2-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 155984850
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398141
2-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 53398196
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
2-[(2-chloro-4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106865468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid (CID 2761825) is (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(Cc2ccccc2F)CCCN1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BWPBAGONMSRISC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12/h1-2,4-5,14H,3,6-8H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2761825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).