(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid

C13H15F2NO2 — CID 110838450

IUPAC(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1cc(F)ccc1F)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H15F2NO2/c1-8(10-7-9(14)4-5-11(10)15)16-6-2-3-12(16)13(17)18/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8?,12-/m0/s1
InChIKeyIYJSYBOSVYGCKB-MYIOLCAUSA-N
MW255.26 g/mol
LogP2.57
Rot. Bonds3

About (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 110838450) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID110838450
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1cc(F)ccc1F)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H15F2NO2/c1-8(10-7-9(14)4-5-11(10)15)16-6-2-3-12(16)13(17)18/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8?,12-/m0/s1
InChIKeyIYJSYBOSVYGCKB-MYIOLCAUSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
1-[1-(2-chloro-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056523
1-[1-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056516
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 4203254
1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3960325
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[1-(3-chloro-4-fluorophenyl)ethyl]azepane-2-carboxylic acid
CID 65069717
(2S)-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838452
1-[1-(5-fluoro-2-methoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4640859
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3646921
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5125904
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid (CID 110838450) is (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid is CC(c1cc(F)ccc1F)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IYJSYBOSVYGCKB-MYIOLCAUSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8(10-7-9(14)4-5-11(10)15)16-6-2-3-12(16)13(17)18/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t8?,12-/m0/s1.
What are the key properties of (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 255.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 110838450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).