2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid

C15H17F2NO2 — CID 69324748

IUPAC2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cccc(F)c2F)C1C1CCC1
InChIInChI=1S/C15H17F2NO2/c16-11-5-2-6-12(13(11)17)18-8-7-10(15(19)20)14(18)9-3-1-4-9/h2,5-6,9-10,14H,1,3-4,7-8H2,(H,19,20)
InChIKeyOPJRVLHOUUKRSJ-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.04
Rot. Bonds3

About 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid

2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 69324748) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID69324748
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cccc(F)c2F)C1C1CCC1
InChIInChI=1S/C15H17F2NO2/c16-11-5-2-6-12(13(11)17)18-8-7-10(15(19)20)14(18)9-3-1-4-9/h2,5-6,9-10,14H,1,3-4,7-8H2,(H,19,20)
InChIKeyOPJRVLHOUUKRSJ-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 69324750
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
1-(2,3-difluorophenyl)-2,5-dihydropyrrole
CID 69194042
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
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CID 123255049
1-(2,3-difluorophenyl)-4-methyl-1,5-diazocane
CID 55149225
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
1-(2,3-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397318
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-bromo-3-fluorobenzoic acid
CID 107540433
2-(4-cyclopentylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79515634

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid (CID 69324748) is 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cccc(F)c2F)C1C1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OPJRVLHOUUKRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-11-5-2-6-12(13(11)17)18-8-7-10(15(19)20)14(18)9-3-1-4-9/h2,5-6,9-10,14H,1,3-4,7-8H2,(H,19,20).
What are the key properties of 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid?
2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 281.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2,3-difluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 69324748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).