ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride

C9H17ClN2O4 — CID 119706085

IUPACethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)COC1CNC1.Cl
InChIInChI=1S/C9H16N2O4.ClH/c1-2-14-9(13)5-11-8(12)6-15-7-3-10-4-7;/h7,10H,2-6H2,1H3,(H,11,12);1H
InChIKeyJUBRVBROHQJKKS-UHFFFAOYSA-N
MW252.70 g/mol
LogP-0.92
Rot. Bonds6

About ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride

ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride (PubChem CID 119706085) has the molecular formula C9H17ClN2O4 and a molecular weight of 252.70 g/mol. Its IUPAC name is ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride
PubChem CID119706085
Molecular FormulaC9H17ClN2O4
Molecular Weight252.70 g/mol
Exact Mass252.09
IUPAC Nameethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)COC1CNC1.Cl
InChIInChI=1S/C9H16N2O4.ClH/c1-2-14-9(13)5-11-8(12)6-15-7-3-10-4-7;/h7,10H,2-6H2,1H3,(H,11,12);1H
InChIKeyJUBRVBROHQJKKS-UHFFFAOYSA-N
XLogP-0.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride (CID 119706085) is ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride is CCOC(=O)CNC(=O)COC1CNC1.Cl.
What is the InChIKey of ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride?
The InChIKey is JUBRVBROHQJKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.ClH/c1-2-14-9(13)5-11-8(12)6-15-7-3-10-4-7;/h7,10H,2-6H2,1H3,(H,11,12);1H.
What are the key properties of ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride?
ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(azetidin-3-yloxy)acetyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119706085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).