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

C13H17N3 — CID 115302064

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
SMILESN#CC(CN1CC[C@@H](N)C1)c1ccccc1
InChIInChI=1S/C13H17N3/c14-8-12(11-4-2-1-3-5-11)9-16-7-6-13(15)10-16/h1-5,12-13H,6-7,9-10,15H2/t12?,13-/m1/s1
InChIKeyJJOZXGKGEBPKKN-ZGTCLIOFSA-N
MW215.30 g/mol
LogP1.33
Rot. Bonds3

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

3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile (PubChem CID 115302064) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
PubChem CID115302064
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile
SMILESN#CC(CN1CC[C@@H](N)C1)c1ccccc1
InChIInChI=1S/C13H17N3/c14-8-12(11-4-2-1-3-5-11)9-16-7-6-13(15)10-16/h1-5,12-13H,6-7,9-10,15H2/t12?,13-/m1/s1
InChIKeyJJOZXGKGEBPKKN-ZGTCLIOFSA-N
XLogP1.33
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.33
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-phenylpropanenitrile?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile (CID 115302064) is 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile is N#CC(CN1CC[C@@H](N)C1)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile?
The InChIKey is JJOZXGKGEBPKKN-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-12(11-4-2-1-3-5-11)9-16-7-6-13(15)10-16/h1-5,12-13H,6-7,9-10,15H2/t12?,13-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile?
3-[(3R)-3-aminopyrrolidin-1-yl]-2-phenylpropanenitrile has a molecular weight of 215.30 g/mol, XLogP of 1.33, 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-phenylpropanenitrile is sourced from PubChem (CID 115302064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).