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

C7H11NO4 — CID 18997977

IUPACethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OCC
InChIInChI=1S/C7H11NO4/c1-3-5(9)8-6(10)7(11)12-4-2/h3,6,10H,1,4H2,2H3,(H,8,9)
InChIKeyUDGCJHOTVDOFIL-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.83
Rot. Bonds4

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

ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate (PubChem CID 18997977) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
PubChem CID18997977
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OCC
InChIInChI=1S/C7H11NO4/c1-3-5(9)8-6(10)7(11)12-4-2/h3,6,10H,1,4H2,2H3,(H,8,9)
InChIKeyUDGCJHOTVDOFIL-UHFFFAOYSA-N
XLogP-0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate (CID 18997977) is ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate is C=CC(=O)NC(O)C(=O)OCC.
What is the InChIKey of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The InChIKey is UDGCJHOTVDOFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-5(9)8-6(10)7(11)12-4-2/h3,6,10H,1,4H2,2H3,(H,8,9).
What are the key properties of ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate?
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate has a molecular weight of 173.17 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 18997977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).