methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

C15H21NO4 — CID 11150163

IUPACmethyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1
InChIKeyZQEIXNIJLIKNTD-GFCCVEGCSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds5

About methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (PubChem CID 11150163) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
PubChem CID11150163
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1
InChIKeyZQEIXNIJLIKNTD-GFCCVEGCSA-N
XLogP1.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The IUPAC name of methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (CID 11150163) is methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.
What is the SMILES notation for methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The canonical SMILES for methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The InChIKey is ZQEIXNIJLIKNTD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is sourced from PubChem (CID 11150163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).