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

C17H19F2NO3 — CID 122109348

IUPAC1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C17H19F2NO3/c1-10-11(15(21)22)6-9-20(10)16(23)17(7-3-8-17)14-12(18)4-2-5-13(14)19/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22)
InChIKeyHQFSFSPMTNDSGX-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.71
Rot. Bonds3

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

1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 122109348) has the molecular formula C17H19F2NO3 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID122109348
Molecular FormulaC17H19F2NO3
Molecular Weight323.34 g/mol
Exact Mass323.13
IUPAC Name1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1(c2c(F)cccc2F)CCC1
InChIInChI=1S/C17H19F2NO3/c1-10-11(15(21)22)6-9-20(10)16(23)17(7-3-8-17)14-12(18)4-2-5-13(14)19/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22)
InChIKeyHQFSFSPMTNDSGX-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122109083
(3R,4R)-4-cyclopropyl-1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 122108764
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115453494
cis-(1S,3R)-3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 122108651
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 122108064
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377102
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-(2,4,6-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 79363624
1-[(3-fluorophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79363795
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
1-[2-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 122107830
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 122109200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid (CID 122109348) is 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1(c2c(F)cccc2F)CCC1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HQFSFSPMTNDSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO3/c1-10-11(15(21)22)6-9-20(10)16(23)17(7-3-8-17)14-12(18)4-2-5-13(14)19/h2,4-5,10-11H,3,6-9H2,1H3,(H,21,22).
What are the key properties of 1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 323.34 g/mol, XLogP of 2.71, 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)cyclobutanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122109348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).