3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H16N2O3 — CID 104747851

IUPAC3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CCOC1
InChIInChI=1S/C11H16N2O3/c12-9(6-1-2-16-5-6)4-13-10(14)7-3-8(7)11(13)15/h6-9H,1-5,12H2
InChIKeyDKSFORBVEODZRP-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.64
Rot. Bonds3

About 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 104747851) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID104747851
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CCOC1
InChIInChI=1S/C11H16N2O3/c12-9(6-1-2-16-5-6)4-13-10(14)7-3-8(7)11(13)15/h6-9H,1-5,12H2
InChIKeyDKSFORBVEODZRP-UHFFFAOYSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 104747851) is 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is NC(CN1C(=O)C2CC2C1=O)C1CCOC1.
What is the InChIKey of 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is DKSFORBVEODZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-9(6-1-2-16-5-6)4-13-10(14)7-3-8(7)11(13)15/h6-9H,1-5,12H2.
What are the key properties of 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 104747851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).