methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate

C9H13NO5 — CID 62952809

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate
SMILESC=CC(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H13NO5/c1-4-7(11)10(5-8(12)14-2)6-9(13)15-3/h4H,1,5-6H2,2-3H3
InChIKeyOYBAVNKXZNWVAA-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.65
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate (PubChem CID 62952809) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate
PubChem CID62952809
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate
SMILESC=CC(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H13NO5/c1-4-7(11)10(5-8(12)14-2)6-9(13)15-3/h4H,1,5-6H2,2-3H3
InChIKeyOYBAVNKXZNWVAA-UHFFFAOYSA-N
XLogP-0.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.65
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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Related Compounds

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CID 6539156
N-Acryloylsarcosine methyl ester
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2-(N-methylprop-2-enamido)acetic acid
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3-Fluoropropyl 2-[di(prop-2-enoyl)amino]acetate
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Methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate
CID 60754308
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Methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetate
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2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
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ethyl 2-(5-oxo-2H-pyrrol-1-yl)acetate
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N-ethyl-N-(2-methoxyethyl)prop-2-enamide
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Methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylprop-2-enoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate (CID 62952809) is methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate is C=CC(=O)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
The InChIKey is OYBAVNKXZNWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-4-7(11)10(5-8(12)14-2)6-9(13)15-3/h4H,1,5-6H2,2-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enoylamino]acetate has a molecular weight of 215.20 g/mol, XLogP of -0.65, 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)-prop-2-enoylamino]acetate is sourced from PubChem (CID 62952809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).