2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate

C9H14NO5- — CID 7357773

IUPAC2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate
SMILESO=C([O-])COCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H15NO5/c11-8(5-14-6-9(12)13)10-4-7-2-1-3-15-7/h7H,1-6H2,(H,10,11)(H,12,13)/p-1/t7-/m1/s1
InChIKeySHIOYHMFKOSXKR-SSDOTTSWSA-M
MW216.21 g/mol
LogP-1.95
Rot. Bonds6

About 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate

2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate (PubChem CID 7357773) has the molecular formula C9H14NO5- and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate.

Molecular Properties

Compound Name2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate
PubChem CID7357773
Molecular FormulaC9H14NO5-
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate
SMILESO=C([O-])COCC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C9H15NO5/c11-8(5-14-6-9(12)13)10-4-7-2-1-3-15-7/h7H,1-6H2,(H,10,11)(H,12,13)/p-1/t7-/m1/s1
InChIKeySHIOYHMFKOSXKR-SSDOTTSWSA-M
XLogP-1.95
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate?
The IUPAC name of 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate (CID 7357773) is 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate.
What is the SMILES notation for 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate?
The canonical SMILES for 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate is O=C([O-])COCC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate?
The InChIKey is SHIOYHMFKOSXKR-SSDOTTSWSA-M. The full InChI is InChI=1S/C9H15NO5/c11-8(5-14-6-9(12)13)10-4-7-2-1-3-15-7/h7H,1-6H2,(H,10,11)(H,12,13)/p-1/t7-/m1/s1.
What are the key properties of 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate?
2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate has a molecular weight of 216.21 g/mol, XLogP of -1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]acetate is sourced from PubChem (CID 7357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).