3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile

C11H19N3 — CID 130944153

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile
SMILESN#CC(CN1CC[C@@H](N)C1)C1CCC1
InChIInChI=1S/C11H19N3/c12-6-10(9-2-1-3-9)7-14-5-4-11(13)8-14/h9-11H,1-5,7-8,13H2/t10?,11-/m1/s1
InChIKeyXBBPQHMRTLJGBT-RRKGBCIJSA-N
MW193.29 g/mol
LogP0.96
Rot. Bonds3

About 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile

3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile (PubChem CID 130944153) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile
PubChem CID130944153
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile
SMILESN#CC(CN1CC[C@@H](N)C1)C1CCC1
InChIInChI=1S/C11H19N3/c12-6-10(9-2-1-3-9)7-14-5-4-11(13)8-14/h9-11H,1-5,7-8,13H2/t10?,11-/m1/s1
InChIKeyXBBPQHMRTLJGBT-RRKGBCIJSA-N
XLogP0.96
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile (CID 130944153) is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile is N#CC(CN1CC[C@@H](N)C1)C1CCC1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile?
The InChIKey is XBBPQHMRTLJGBT-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H19N3/c12-6-10(9-2-1-3-9)7-14-5-4-11(13)8-14/h9-11H,1-5,7-8,13H2/t10?,11-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile?
3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile has a molecular weight of 193.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile is sourced from PubChem (CID 130944153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).