ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate

C9H16N2O3 — CID 64618961

IUPACethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CNC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)6-11-8(12)3-7-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyCMZLWYAJUCSPFN-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.72
Rot. Bonds5

About ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate

ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate (PubChem CID 64618961) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
PubChem CID64618961
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CC1CNC1
InChIInChI=1S/C9H16N2O3/c1-2-14-9(13)6-11-8(12)3-7-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyCMZLWYAJUCSPFN-UHFFFAOYSA-N
XLogP-0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(azetidin-3-yl)acetate;formic acid
CID 70080639
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ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate (CID 64618961) is ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)CC1CNC1.
What is the InChIKey of ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate?
The InChIKey is CMZLWYAJUCSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-14-9(13)6-11-8(12)3-7-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 64618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).