1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate

C10H15N3O3 — CID 70456852

IUPAC1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate
SMILESCCC1C(N)C(=O)N1CC(=O)OC(C)C#N
InChIInChI=1S/C10H15N3O3/c1-3-7-9(12)10(15)13(7)5-8(14)16-6(2)4-11/h6-7,9H,3,5,12H2,1-2H3
InChIKeyNINKPVODJVKXEO-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.61
Rot. Bonds4

About 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate

1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate (PubChem CID 70456852) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate.

Molecular Properties

Compound Name1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate
PubChem CID70456852
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate
SMILESCCC1C(N)C(=O)N1CC(=O)OC(C)C#N
InChIInChI=1S/C10H15N3O3/c1-3-7-9(12)10(15)13(7)5-8(14)16-6(2)4-11/h6-7,9H,3,5,12H2,1-2H3
InChIKeyNINKPVODJVKXEO-UHFFFAOYSA-N
XLogP-0.61
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate?
The IUPAC name of 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate (CID 70456852) is 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate.
What is the SMILES notation for 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate?
The canonical SMILES for 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate is CCC1C(N)C(=O)N1CC(=O)OC(C)C#N.
What is the InChIKey of 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate?
The InChIKey is NINKPVODJVKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7-9(12)10(15)13(7)5-8(14)16-6(2)4-11/h6-7,9H,3,5,12H2,1-2H3.
What are the key properties of 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate?
1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate has a molecular weight of 225.25 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoethyl 2-(3-amino-2-ethyl-4-oxoazetidin-1-yl)acetate is sourced from PubChem (CID 70456852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).