3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

C11H20N2O2 — CID 107219609

IUPAC3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CC(N)C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)6-13(7-11)10(14)5-9(12)8-3-4-8/h8-9,15H,2-7,12H2,1H3
InChIKeyDNGYAGGTSHUDTM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 107219609) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID107219609
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)CC(N)C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-11(15)6-13(7-11)10(14)5-9(12)8-3-4-8/h8-9,15H,2-7,12H2,1H3
InChIKeyDNGYAGGTSHUDTM-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 107219609) is 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is CCC1(O)CN(C(=O)CC(N)C2CC2)C1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is DNGYAGGTSHUDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-11(15)6-13(7-11)10(14)5-9(12)8-3-4-8/h8-9,15H,2-7,12H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107219609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).