methyl 2-(2,4,6-trimethylanilino)propanoate

C13H19NO2 — CID 5174877

IUPACmethyl 2-(2,4,6-trimethylanilino)propanoate
SMILESCOC(=O)C(C)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3
InChIKeyJOPXXCORTMWJHX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds3

About methyl 2-(2,4,6-trimethylanilino)propanoate

methyl 2-(2,4,6-trimethylanilino)propanoate (PubChem CID 5174877) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-(2,4,6-trimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,4,6-trimethylanilino)propanoate
PubChem CID5174877
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-(2,4,6-trimethylanilino)propanoate
SMILESCOC(=O)C(C)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3
InChIKeyJOPXXCORTMWJHX-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,6-trimethylanilino)propanoate?
The IUPAC name of methyl 2-(2,4,6-trimethylanilino)propanoate (CID 5174877) is methyl 2-(2,4,6-trimethylanilino)propanoate.
What is the SMILES notation for methyl 2-(2,4,6-trimethylanilino)propanoate?
The canonical SMILES for methyl 2-(2,4,6-trimethylanilino)propanoate is COC(=O)C(C)Nc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 2-(2,4,6-trimethylanilino)propanoate?
The InChIKey is JOPXXCORTMWJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3.
What are the key properties of methyl 2-(2,4,6-trimethylanilino)propanoate?
methyl 2-(2,4,6-trimethylanilino)propanoate has a molecular weight of 221.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,6-trimethylanilino)propanoate is sourced from PubChem (CID 5174877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).