2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate

C10H17NO4 — CID 163436746

IUPAC2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CC(=O)OC
InChIInChI=1S/C10H17NO4/c1-8(2)10(13)15-6-5-11(3)7-9(12)14-4/h1,5-7H2,2-4H3
InChIKeyAVDNRUDOUOPVOM-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.21
Rot. Bonds6

About 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate

2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate (PubChem CID 163436746) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
PubChem CID163436746
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)CC(=O)OC
InChIInChI=1S/C10H17NO4/c1-8(2)10(13)15-6-5-11(3)7-9(12)14-4/h1,5-7H2,2-4H3
InChIKeyAVDNRUDOUOPVOM-UHFFFAOYSA-N
XLogP0.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.21
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 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate (CID 163436746) is 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)CC(=O)OC.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is AVDNRUDOUOPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(2)10(13)15-6-5-11(3)7-9(12)14-4/h1,5-7H2,2-4H3.
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate?
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 163436746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).