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

C16H17F2NO3 — CID 119256820

IUPAC1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CC2c2cccc(F)c2F)C1
InChIInChI=1S/C16H17F2NO3/c1-16(15(21)22)5-6-19(8-16)14(20)11-7-10(11)9-3-2-4-12(17)13(9)18/h2-4,10-11H,5-8H2,1H3,(H,21,22)
InChIKeyQWAJLZNWBYYMFZ-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.39
Rot. Bonds3

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

1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256820) has the molecular formula C16H17F2NO3 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256820
Molecular FormulaC16H17F2NO3
Molecular Weight309.31 g/mol
Exact Mass309.12
IUPAC Name1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2CC2c2cccc(F)c2F)C1
InChIInChI=1S/C16H17F2NO3/c1-16(15(21)22)5-6-19(8-16)14(20)11-7-10(11)9-3-2-4-12(17)13(9)18/h2-4,10-11H,5-8H2,1H3,(H,21,22)
InChIKeyQWAJLZNWBYYMFZ-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695295
(3S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132387
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251379
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257216
6-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175019
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119354031
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119542477
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
N-[(3R)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropanecarbonyl]-3-methylpyrrolidin-3-yl]methanesulfonamide
CID 176849050
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256820) is 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2CC2c2cccc(F)c2F)C1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QWAJLZNWBYYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3/c1-16(15(21)22)5-6-19(8-16)14(20)11-7-10(11)9-3-2-4-12(17)13(9)18/h2-4,10-11H,5-8H2,1H3,(H,21,22).
What are the key properties of 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 309.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).