1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H17BrFNO3 — CID 119258301

IUPAC1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H17BrFNO3/c17-12-4-2-11(3-5-12)15(6-1-7-15)13(20)19-9-8-16(18,10-19)14(21)22/h2-5H,1,6-10H2,(H,21,22)
InChIKeyWYIDOSUKOCPRMA-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.90
Rot. Bonds3

About 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258301) has the molecular formula C16H17BrFNO3 and a molecular weight of 370.22 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258301
Molecular FormulaC16H17BrFNO3
Molecular Weight370.22 g/mol
Exact Mass369.04
IUPAC Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H17BrFNO3/c17-12-4-2-11(3-5-12)15(6-1-7-15)13(20)19-9-8-16(18,10-19)14(21)22/h2-5H,1,6-10H2,(H,21,22)
InChIKeyWYIDOSUKOCPRMA-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
1-[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 122108064
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone
CID 120807621
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
1-[2-(4-bromophenyl)propanoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 120529678
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258108
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258301) is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is WYIDOSUKOCPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO3/c17-12-4-2-11(3-5-12)15(6-1-7-15)13(20)19-9-8-16(18,10-19)14(21)22/h2-5H,1,6-10H2,(H,21,22).
What are the key properties of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 370.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).