(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one

C14H20N2O — CID 16736383

IUPAC(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESN[C@@H](CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c15-13(10-12-6-2-1-3-7-12)11-14(17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m1/s1
InChIKeyWGEBKDFHFRGHJN-CYBMUJFWSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

About (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one

(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 16736383) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID16736383
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one
SMILESN[C@@H](CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c15-13(10-12-6-2-1-3-7-12)11-14(17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m1/s1
InChIKeyWGEBKDFHFRGHJN-CYBMUJFWSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one (CID 16736383) is (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one is N[C@@H](CC(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is WGEBKDFHFRGHJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13(10-12-6-2-1-3-7-12)11-14(17)16-8-4-5-9-16/h1-3,6-7,13H,4-5,8-11,15H2/t13-/m1/s1.
What are the key properties of (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one?
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 16736383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).