methyl 2-(4-methylanilino)propanoate

C11H15NO2 — CID 3266102

IUPACmethyl 2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-8-4-6-10(7-5-8)12-9(2)11(13)14-3/h4-7,9,12H,1-3H3
InChIKeyHMALPGPQEAWBKH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds3

About methyl 2-(4-methylanilino)propanoate

methyl 2-(4-methylanilino)propanoate (PubChem CID 3266102) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-(4-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-methylanilino)propanoate
PubChem CID3266102
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-8-4-6-10(7-5-8)12-9(2)11(13)14-3/h4-7,9,12H,1-3H3
InChIKeyHMALPGPQEAWBKH-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylanilino)propanoate?
The IUPAC name of methyl 2-(4-methylanilino)propanoate (CID 3266102) is methyl 2-(4-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(4-methylanilino)propanoate?
The canonical SMILES for methyl 2-(4-methylanilino)propanoate is COC(=O)C(C)Nc1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylanilino)propanoate?
The InChIKey is HMALPGPQEAWBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-6-10(7-5-8)12-9(2)11(13)14-3/h4-7,9,12H,1-3H3.
What are the key properties of methyl 2-(4-methylanilino)propanoate?
methyl 2-(4-methylanilino)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylanilino)propanoate is sourced from PubChem (CID 3266102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).