3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H16N2O3 — CID 64834723

IUPAC3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(O)CN)C(=O)C21
InChIInChI=1S/C10H16N2O3/c1-10(2)6-7(10)9(15)12(8(6)14)4-5(13)3-11/h5-7,13H,3-4,11H2,1-2H3
InChIKeyIUVDWMKAFPMKST-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.05
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64834723) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64834723
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(O)CN)C(=O)C21
InChIInChI=1S/C10H16N2O3/c1-10(2)6-7(10)9(15)12(8(6)14)4-5(13)3-11/h5-7,13H,3-4,11H2,1-2H3
InChIKeyIUVDWMKAFPMKST-UHFFFAOYSA-N
XLogP-1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
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-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64834723) is 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(CC(O)CN)C(=O)C21.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is IUVDWMKAFPMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2)6-7(10)9(15)12(8(6)14)4-5(13)3-11/h5-7,13H,3-4,11H2,1-2H3.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64834723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).