ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate

C11H21NO5 — CID 18997981

IUPACethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OCC.CCOCC
InChIInChI=1S/C7H11NO4.C4H10O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-5-4-2/h3,6,10H,1,4H2,2H3,(H,8,9);3-4H2,1-2H3
InChIKeyNRLXZPFICJICPJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.21
Rot. Bonds6

About ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate

ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate (PubChem CID 18997981) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Nameethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
PubChem CID18997981
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nameethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OCC.CCOCC
InChIInChI=1S/C7H11NO4.C4H10O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-5-4-2/h3,6,10H,1,4H2,2H3,(H,8,9);3-4H2,1-2H3
InChIKeyNRLXZPFICJICPJ-UHFFFAOYSA-N
XLogP0.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The IUPAC name of ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate (CID 18997981) is ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The canonical SMILES for ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate is C=CC(=O)NC(O)C(=O)OCC.CCOCC.
What is the InChIKey of ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The InChIKey is NRLXZPFICJICPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C4H10O/c1-3-5(9)8-6(10)7(11)12-4-2;1-3-5-4-2/h3,6,10H,1,4H2,2H3,(H,8,9);3-4H2,1-2H3.
What are the key properties of ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate has a molecular weight of 247.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 18997981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).