ethyl 2-(3-aminoazetidin-1-yl)acetate

C7H14N2O2 — CID 65250255

IUPACethyl 2-(3-aminoazetidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(N)C1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)5-9-3-6(8)4-9/h6H,2-5,8H2,1H3
InChIKeyBYPTUOLFMJDVHD-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds3

About ethyl 2-(3-aminoazetidin-1-yl)acetate

ethyl 2-(3-aminoazetidin-1-yl)acetate (PubChem CID 65250255) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 2-(3-aminoazetidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-aminoazetidin-1-yl)acetate
PubChem CID65250255
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl 2-(3-aminoazetidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(N)C1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)5-9-3-6(8)4-9/h6H,2-5,8H2,1H3
InChIKeyBYPTUOLFMJDVHD-UHFFFAOYSA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminoazetidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-aminoazetidin-1-yl)acetate (CID 65250255) is ethyl 2-(3-aminoazetidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-aminoazetidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-aminoazetidin-1-yl)acetate is CCOC(=O)CN1CC(N)C1.
What is the InChIKey of ethyl 2-(3-aminoazetidin-1-yl)acetate?
The InChIKey is BYPTUOLFMJDVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)5-9-3-6(8)4-9/h6H,2-5,8H2,1H3.
What are the key properties of ethyl 2-(3-aminoazetidin-1-yl)acetate?
ethyl 2-(3-aminoazetidin-1-yl)acetate has a molecular weight of 158.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminoazetidin-1-yl)acetate is sourced from PubChem (CID 65250255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).