methyl 2-benzamido-2-methylpropanoate

C12H15NO3 — CID 7208649

IUPACmethyl 2-benzamido-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)
InChIKeyTYBIXYNNTSJTGP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.37
Rot. Bonds3

About methyl 2-benzamido-2-methylpropanoate

methyl 2-benzamido-2-methylpropanoate (PubChem CID 7208649) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-benzamido-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-methylpropanoate
PubChem CID7208649
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-benzamido-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14)
InChIKeyTYBIXYNNTSJTGP-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-2-methylpropanoate?
The IUPAC name of methyl 2-benzamido-2-methylpropanoate (CID 7208649) is methyl 2-benzamido-2-methylpropanoate.
What is the SMILES notation for methyl 2-benzamido-2-methylpropanoate?
The canonical SMILES for methyl 2-benzamido-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-2-methylpropanoate?
The InChIKey is TYBIXYNNTSJTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(2,11(15)16-3)13-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,13,14).
What are the key properties of methyl 2-benzamido-2-methylpropanoate?
methyl 2-benzamido-2-methylpropanoate has a molecular weight of 221.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-methylpropanoate is sourced from PubChem (CID 7208649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).