methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate

C10H15NO5 — CID 15084872

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate
SMILESC=C(C)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H15NO5/c1-7(2)10(14)11(5-8(12)15-3)6-9(13)16-4/h1,5-6H2,2-4H3
InChIKeyTUORNJBNFQTQDL-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.26
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate (PubChem CID 15084872) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate
PubChem CID15084872
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate
SMILESC=C(C)C(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H15NO5/c1-7(2)10(14)11(5-8(12)15-3)6-9(13)16-4/h1,5-6H2,2-4H3
InChIKeyTUORNJBNFQTQDL-UHFFFAOYSA-N
XLogP-0.26
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate (CID 15084872) is methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate is C=C(C)C(=O)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate?
The InChIKey is TUORNJBNFQTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7(2)10(14)11(5-8(12)15-3)6-9(13)16-4/h1,5-6H2,2-4H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate has a molecular weight of 229.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate is sourced from PubChem (CID 15084872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).