methyl 2-benzamido-2-methylbutanoate

C13H17NO3 — CID 102407670

IUPACmethyl 2-benzamido-2-methylbutanoate
SMILESCCC(C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C13H17NO3/c1-4-13(2,12(16)17-3)14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNFHLIGDIXYLYBP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-benzamido-2-methylbutanoate

methyl 2-benzamido-2-methylbutanoate (PubChem CID 102407670) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-benzamido-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-benzamido-2-methylbutanoate
PubChem CID102407670
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-benzamido-2-methylbutanoate
SMILESCCC(C)(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C13H17NO3/c1-4-13(2,12(16)17-3)14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyNFHLIGDIXYLYBP-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.76
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-methylbutanoate?
The IUPAC name of methyl 2-benzamido-2-methylbutanoate (CID 102407670) is methyl 2-benzamido-2-methylbutanoate.
What is the SMILES notation for methyl 2-benzamido-2-methylbutanoate?
The canonical SMILES for methyl 2-benzamido-2-methylbutanoate is CCC(C)(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-benzamido-2-methylbutanoate?
The InChIKey is NFHLIGDIXYLYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-13(2,12(16)17-3)14-11(15)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-benzamido-2-methylbutanoate?
methyl 2-benzamido-2-methylbutanoate has a molecular weight of 235.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-2-methylbutanoate is sourced from PubChem (CID 102407670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).