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

C8H13NO5 — CID 54486261

IUPACmethyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)C(O)N1C(=O)C[C@H]1CCO
InChIInChI=1S/C8H13NO5/c1-14-8(13)7(12)9-5(2-3-10)4-6(9)11/h5,7,10,12H,2-4H2,1H3/t5-,7?/m1/s1
InChIKeyXSMYPHPFNDTMLS-FOUAAFFMSA-N
MW203.19 g/mol
LogP-1.54
Rot. Bonds4

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

methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate (PubChem CID 54486261) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
PubChem CID54486261
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Namemethyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
SMILESCOC(=O)C(O)N1C(=O)C[C@H]1CCO
InChIInChI=1S/C8H13NO5/c1-14-8(13)7(12)9-5(2-3-10)4-6(9)11/h5,7,10,12H,2-4H2,1H3/t5-,7?/m1/s1
InChIKeyXSMYPHPFNDTMLS-FOUAAFFMSA-N
XLogP-1.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate (CID 54486261) is methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate is COC(=O)C(O)N1C(=O)C[C@H]1CCO.
What is the InChIKey of methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
The InChIKey is XSMYPHPFNDTMLS-FOUAAFFMSA-N. The full InChI is InChI=1S/C8H13NO5/c1-14-8(13)7(12)9-5(2-3-10)4-6(9)11/h5,7,10,12H,2-4H2,1H3/t5-,7?/m1/s1.
What are the key properties of methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate?
methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate has a molecular weight of 203.19 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 54486261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).