methyl 3-(2-methylanilino)propanoate

C11H15NO2 — CID 12805940

IUPACmethyl 3-(2-methylanilino)propanoate
SMILESCOC(=O)CCNc1ccccc1C
InChIInChI=1S/C11H15NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyYKXXJFNZHWXFKW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds4

About methyl 3-(2-methylanilino)propanoate

methyl 3-(2-methylanilino)propanoate (PubChem CID 12805940) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-(2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylanilino)propanoate
PubChem CID12805940
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-(2-methylanilino)propanoate
SMILESCOC(=O)CCNc1ccccc1C
InChIInChI=1S/C11H15NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyYKXXJFNZHWXFKW-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
methyl 3-(2-ethenylanilino)propanoate
CID 174296547
(2-chlorophenyl)methyl 3-(2-methylanilino)propanoate
CID 60717447
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
CID 94814438
methyl 3-(2-methyl-5-nitroanilino)propanoate
CID 62588646
2-ethylhexyl 3-(2-methylanilino)propanoate
CID 15918765
methyl 3-(2-methyl-3-nitroanilino)propanoate
CID 63076226
methyl 3-(cinnolin-4-ylamino)propanoate
CID 63588842

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylanilino)propanoate?
The IUPAC name of methyl 3-(2-methylanilino)propanoate (CID 12805940) is methyl 3-(2-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(2-methylanilino)propanoate?
The canonical SMILES for methyl 3-(2-methylanilino)propanoate is COC(=O)CCNc1ccccc1C.
What is the InChIKey of methyl 3-(2-methylanilino)propanoate?
The InChIKey is YKXXJFNZHWXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-5-3-4-6-10(9)12-8-7-11(13)14-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 3-(2-methylanilino)propanoate?
methyl 3-(2-methylanilino)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylanilino)propanoate is sourced from PubChem (CID 12805940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).