methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate

C11H17NO4 — CID 88580510

IUPACmethyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate
SMILESCOC(=O)C=C1CC(CC(=O)N(C)OC)C1
InChIInChI=1S/C11H17NO4/c1-12(16-3)10(13)6-8-4-9(5-8)7-11(14)15-2/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyANVKUPBTBLCDRW-CLFYSBASSA-N
MW227.26 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate

methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate (PubChem CID 88580510) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate
PubChem CID88580510
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate
SMILESCOC(=O)C=C1CC(CC(=O)N(C)OC)C1
InChIInChI=1S/C11H17NO4/c1-12(16-3)10(13)6-8-4-9(5-8)7-11(14)15-2/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyANVKUPBTBLCDRW-CLFYSBASSA-N
XLogP0.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate?
The IUPAC name of methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate (CID 88580510) is methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate.
What is the SMILES notation for methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate?
The canonical SMILES for methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate is COC(=O)C=C1CC(CC(=O)N(C)OC)C1.
What is the InChIKey of methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate?
The InChIKey is ANVKUPBTBLCDRW-CLFYSBASSA-N. The full InChI is InChI=1S/C11H17NO4/c1-12(16-3)10(13)6-8-4-9(5-8)7-11(14)15-2/h7-8H,4-6H2,1-3H3/b9-7-.
What are the key properties of methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate?
methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate has a molecular weight of 227.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclobutylidene]acetate is sourced from PubChem (CID 88580510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).