1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid

C9H14FNO2 — CID 115017250

IUPAC1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCC2)C1
InChIInChI=1S/C9H14FNO2/c10-9(8(12)13)4-5-11(6-9)7-2-1-3-7/h7H,1-6H2,(H,12,13)
InChIKeyHDGZEJUFUWGETD-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.04
Rot. Bonds2

About 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid

1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 115017250) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID115017250
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(F)CCN(C2CCC2)C1
InChIInChI=1S/C9H14FNO2/c10-9(8(12)13)4-5-11(6-9)7-2-1-3-7/h7H,1-6H2,(H,12,13)
InChIKeyHDGZEJUFUWGETD-UHFFFAOYSA-N
XLogP1.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid (CID 115017250) is 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid is O=C(O)C1(F)CCN(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is HDGZEJUFUWGETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-9(8(12)13)4-5-11(6-9)7-2-1-3-7/h7H,1-6H2,(H,12,13).
What are the key properties of 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 187.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115017250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).