cyanomethyl 2-benzamidoacetate

C11H10N2O3 — CID 2341321

IUPACcyanomethyl 2-benzamidoacetate
SMILESN#CCOC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H10N2O3/c12-6-7-16-10(14)8-13-11(15)9-4-2-1-3-5-9/h1-5H,7-8H2,(H,13,15)
InChIKeyVCFUBYJGDOKKRJ-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.48
Rot. Bonds4

About cyanomethyl 2-benzamidoacetate

cyanomethyl 2-benzamidoacetate (PubChem CID 2341321) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is cyanomethyl 2-benzamidoacetate.

Molecular Properties

Compound Namecyanomethyl 2-benzamidoacetate
PubChem CID2341321
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namecyanomethyl 2-benzamidoacetate
SMILESN#CCOC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C11H10N2O3/c12-6-7-16-10(14)8-13-11(15)9-4-2-1-3-5-9/h1-5H,7-8H2,(H,13,15)
InChIKeyVCFUBYJGDOKKRJ-UHFFFAOYSA-N
XLogP0.48
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-benzamidoacetate?
The IUPAC name of cyanomethyl 2-benzamidoacetate (CID 2341321) is cyanomethyl 2-benzamidoacetate.
What is the SMILES notation for cyanomethyl 2-benzamidoacetate?
The canonical SMILES for cyanomethyl 2-benzamidoacetate is N#CCOC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of cyanomethyl 2-benzamidoacetate?
The InChIKey is VCFUBYJGDOKKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-6-7-16-10(14)8-13-11(15)9-4-2-1-3-5-9/h1-5H,7-8H2,(H,13,15).
What are the key properties of cyanomethyl 2-benzamidoacetate?
cyanomethyl 2-benzamidoacetate has a molecular weight of 218.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-benzamidoacetate is sourced from PubChem (CID 2341321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).