3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

C14H22FNO3 — CID 154751889

IUPAC3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)N2CCC(F)(C(=O)O)C2)CCC1
InChIInChI=1S/C14H22FNO3/c1-10(2)8-13(4-3-5-13)11(17)16-7-6-14(15,9-16)12(18)19/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyCMUVKHDNWIOTFI-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.23
Rot. Bonds4

About 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 154751889) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID154751889
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)N2CCC(F)(C(=O)O)C2)CCC1
InChIInChI=1S/C14H22FNO3/c1-10(2)8-13(4-3-5-13)11(17)16-7-6-14(15,9-16)12(18)19/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyCMUVKHDNWIOTFI-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid (CID 154751889) is 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is CC(C)CC1(C(=O)N2CCC(F)(C(=O)O)C2)CCC1.
What is the InChIKey of 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CMUVKHDNWIOTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-10(2)8-13(4-3-5-13)11(17)16-7-6-14(15,9-16)12(18)19/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(2-methylpropyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).