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

C8H16N2O2 — CID 65249905

IUPACethyl 2-(3-aminoazetidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)6(2)10-4-7(9)5-10/h6-7H,3-5,9H2,1-2H3
InChIKeyKZIZKRBWMUTUFX-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds3

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

ethyl 2-(3-aminoazetidin-1-yl)propanoate (PubChem CID 65249905) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 2-(3-aminoazetidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-aminoazetidin-1-yl)propanoate
PubChem CID65249905
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 2-(3-aminoazetidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)6(2)10-4-7(9)5-10/h6-7H,3-5,9H2,1-2H3
InChIKeyKZIZKRBWMUTUFX-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2S)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]propanoate
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CID 55063212
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminoazetidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(3-aminoazetidin-1-yl)propanoate (CID 65249905) is ethyl 2-(3-aminoazetidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-aminoazetidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(3-aminoazetidin-1-yl)propanoate is CCOC(=O)C(C)N1CC(N)C1.
What is the InChIKey of ethyl 2-(3-aminoazetidin-1-yl)propanoate?
The InChIKey is KZIZKRBWMUTUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-8(11)6(2)10-4-7(9)5-10/h6-7H,3-5,9H2,1-2H3.
What are the key properties of ethyl 2-(3-aminoazetidin-1-yl)propanoate?
ethyl 2-(3-aminoazetidin-1-yl)propanoate has a molecular weight of 172.23 g/mol, XLogP of -0.42, 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)propanoate is sourced from PubChem (CID 65249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).