methyl 2-benzamidoacetate

C10H11NO3 — CID 14566

IUPACmethyl 2-benzamidoacetate
SMILESCOC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChIKeyXTKVNQKOTKPCKM-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.59
Rot. Bonds3

About methyl 2-benzamidoacetate

methyl 2-benzamidoacetate (PubChem CID 14566) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-benzamidoacetate.

Molecular Properties

Compound Namemethyl 2-benzamidoacetate
PubChem CID14566
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-benzamidoacetate
SMILESCOC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
InChIKeyXTKVNQKOTKPCKM-UHFFFAOYSA-N
XLogP0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-benzamidoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamidoacetate?
The IUPAC name of methyl 2-benzamidoacetate (CID 14566) is methyl 2-benzamidoacetate.
What is the SMILES notation for methyl 2-benzamidoacetate?
The canonical SMILES for methyl 2-benzamidoacetate is COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamidoacetate?
The InChIKey is XTKVNQKOTKPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13).
What are the key properties of methyl 2-benzamidoacetate?
methyl 2-benzamidoacetate has a molecular weight of 193.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamidoacetate is sourced from PubChem (CID 14566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).