3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one

C13H22N2O2 — CID 114632799

IUPAC3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one
SMILESCC1(C)C(O)CC1N1CCC(NC2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)15-6-5-9(12(15)17)14-8-3-4-8/h8-11,14,16H,3-7H2,1-2H3
InChIKeyOOXSUZVUEGYEFA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.50
Rot. Bonds3

About 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one

3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one (PubChem CID 114632799) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one
PubChem CID114632799
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one
SMILESCC1(C)C(O)CC1N1CCC(NC2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)15-6-5-9(12(15)17)14-8-3-4-8/h8-11,14,16H,3-7H2,1-2H3
InChIKeyOOXSUZVUEGYEFA-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one (CID 114632799) is 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one is CC1(C)C(O)CC1N1CCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one?
The InChIKey is OOXSUZVUEGYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)10(7-11(13)16)15-6-5-9(12(15)17)14-8-3-4-8/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one?
3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3-hydroxy-2,2-dimethylcyclobutyl)pyrrolidin-2-one is sourced from PubChem (CID 114632799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).