1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid

C14H17F2NO2 — CID 102786586

IUPAC1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(C)c2c(F)cccc2F)C1C(=O)O
InChIInChI=1S/C14H17F2NO2/c1-8-6-7-17(13(8)14(18)19)9(2)12-10(15)4-3-5-11(12)16/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19)
InChIKeyOYLHTZMXDSIREY-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.82
Rot. Bonds3

About 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid

1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786586) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786586
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(C)c2c(F)cccc2F)C1C(=O)O
InChIInChI=1S/C14H17F2NO2/c1-8-6-7-17(13(8)14(18)19)9(2)12-10(15)4-3-5-11(12)16/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19)
InChIKeyOYLHTZMXDSIREY-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-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-(4-chlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786963
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786589
1-[1-(4-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786474
1-[1-(2,6-difluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063566
1-[1-(2,5-dihydroxyphenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787115
3-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 102787172
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785590
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
1-[1-(2,6-dihydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 107711644
ethyl (2S,3R)-3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 175772723

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102786586) is 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(C)c2c(F)cccc2F)C1C(=O)O.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is OYLHTZMXDSIREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-8-6-7-17(13(8)14(18)19)9(2)12-10(15)4-3-5-11(12)16/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 269.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).