(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid

C12H13F2NO2 — CID 96661922

IUPAC(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-4-3-8(6-10(9)14)7-15-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2,(H,16,17)/t11-/m1/s1
InChIKeyJCPZNJGPDBFYDX-LLVKDONJSA-N
MW241.24 g/mol
LogP2.01
Rot. Bonds3

About (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 96661922) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID96661922
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO2/c13-9-4-3-8(6-10(9)14)7-15-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2,(H,16,17)/t11-/m1/s1
InChIKeyJCPZNJGPDBFYDX-LLVKDONJSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038870
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 158650976
(2S)-1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038883
1-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 119909233
(2S)-1-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038828
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
(2R)-1-[[4-(3,5-difluorophenoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038234
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid (CID 96661922) is (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JCPZNJGPDBFYDX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-4-3-8(6-10(9)14)7-15-5-1-2-11(15)12(16)17/h3-4,6,11H,1-2,5,7H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 96661922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).