(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid

C9H14FNO2 — CID 130195708

IUPAC(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(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)/t9-/m1/s1
InChIKeyHDGZEJUFUWGETD-SECBINFHSA-N
MW187.21 g/mol
LogP1.04
Rot. Bonds2

About (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid

(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 130195708) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID130195708
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(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)/t9-/m1/s1
InChIKeyHDGZEJUFUWGETD-SECBINFHSA-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 (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid (CID 130195708) is (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid is O=C(O)[C@@]1(F)CCN(C2CCC2)C1.
What is the InChIKey of (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is HDGZEJUFUWGETD-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid?
(3R)-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 (3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 130195708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).