methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H16N2O5 — CID 55151953

IUPACmethyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H16N2O5/c1-11(2,7-12)10(16)13(5-8(14)17-3)6-9(15)18-4/h5-6H2,1-4H3
InChIKeyBOESCLJFWBHOLU-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.29
Rot. Bonds5

About methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 55151953) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID55151953
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(C)(C)C#N
InChIInChI=1S/C11H16N2O5/c1-11(2,7-12)10(16)13(5-8(14)17-3)6-9(15)18-4/h5-6H2,1-4H3
InChIKeyBOESCLJFWBHOLU-UHFFFAOYSA-N
XLogP-0.29
TPSA96.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 55151953) is methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C(C)(C)C#N.
What is the InChIKey of methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is BOESCLJFWBHOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-11(2,7-12)10(16)13(5-8(14)17-3)6-9(15)18-4/h5-6H2,1-4H3.
What are the key properties of methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 256.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 55151953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).