ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate

C10H17NO4 — CID 60948673

IUPACethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CCOC)CC(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-9(12)11(6-7-14-3)8-10(13)15-5-2/h4H,1,5-8H2,2-3H3
InChIKeyZQMCKRIPPQHYMW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.21
Rot. Bonds7

About ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate

ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate (PubChem CID 60948673) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
PubChem CID60948673
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(CCOC)CC(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-9(12)11(6-7-14-3)8-10(13)15-5-2/h4H,1,5-8H2,2-3H3
InChIKeyZQMCKRIPPQHYMW-UHFFFAOYSA-N
XLogP0.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)prop-2-enamide
CID 60949543
methyl 6-[(2-ethoxy-2-oxoethyl)-prop-2-enoylamino]hexanoate
CID 59029711
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
pentyl 2-[pentyl(prop-2-enoyl)amino]acetate
CID 146324502
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
CID 54875632
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate (CID 60948673) is ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate is C=CC(=O)N(CCOC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate?
The InChIKey is ZQMCKRIPPQHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-9(12)11(6-7-14-3)8-10(13)15-5-2/h4H,1,5-8H2,2-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate?
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate has a molecular weight of 215.25 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 60948673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).