methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

C8H13NO4 — CID 66608960

IUPACmethyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)CC1CC(=O)N1C(C)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-6(3-7(9)11)4-8(12)13-2/h5-6,10H,3-4H2,1-2H3
InChIKeyXLYIVSJEMADZCA-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.51
Rot. Bonds3

About methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate

methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (PubChem CID 66608960) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
PubChem CID66608960
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate
SMILESCOC(=O)CC1CC(=O)N1C(C)O
InChIInChI=1S/C8H13NO4/c1-5(10)9-6(3-7(9)11)4-8(12)13-2/h5-6,10H,3-4H2,1-2H3
InChIKeyXLYIVSJEMADZCA-UHFFFAOYSA-N
XLogP-0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate (CID 66608960) is methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is COC(=O)CC1CC(=O)N1C(C)O.
What is the InChIKey of methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
The InChIKey is XLYIVSJEMADZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5(10)9-6(3-7(9)11)4-8(12)13-2/h5-6,10H,3-4H2,1-2H3.
What are the key properties of methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate?
methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate has a molecular weight of 187.19 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 66608960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).