3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid

C11H16FNO3 — CID 115910026

IUPAC3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C11H16FNO3/c1-7-4-8(5-7)9(14)13-3-2-11(12,6-13)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyMFZLGZGHTVICQR-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.06
Rot. Bonds2

About 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 115910026) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID115910026
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)N2CCC(F)(C(=O)O)C2)C1
InChIInChI=1S/C11H16FNO3/c1-7-4-8(5-7)9(14)13-3-2-11(12,6-13)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyMFZLGZGHTVICQR-UHFFFAOYSA-N
XLogP1.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid (CID 115910026) is 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid is CC1CC(C(=O)N2CCC(F)(C(=O)O)C2)C1.
What is the InChIKey of 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MFZLGZGHTVICQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-7-4-8(5-7)9(14)13-3-2-11(12,6-13)10(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 229.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylcyclobutanecarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115910026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).