methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate

C14H19NO3 — CID 5082289

IUPACmethyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(17)15-11(12(16)18-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,17)
InChIKeyVEFCLBBOUMFNEI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate

methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate (PubChem CID 5082289) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate
PubChem CID5082289
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-14(2,3)13(17)15-11(12(16)18-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,17)
InChIKeyVEFCLBBOUMFNEI-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate (CID 5082289) is methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate is COC(=O)C(NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate?
The InChIKey is VEFCLBBOUMFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,3)13(17)15-11(12(16)18-4)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,15,17).
What are the key properties of methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate?
methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate has a molecular weight of 249.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate is sourced from PubChem (CID 5082289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).