methyl 3-(4-amino-2-methylphenyl)propanoate

C11H15NO2 — CID 54187007

IUPACmethyl 3-(4-amino-2-methylphenyl)propanoate
SMILESCOC(=O)CCc1ccc(N)cc1C
InChIInChI=1S/C11H15NO2/c1-8-7-10(12)5-3-9(8)4-6-11(13)14-2/h3,5,7H,4,6,12H2,1-2H3
InChIKeyPFUCHFQQAZBFDR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-(4-amino-2-methylphenyl)propanoate

methyl 3-(4-amino-2-methylphenyl)propanoate (PubChem CID 54187007) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-(4-amino-2-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-amino-2-methylphenyl)propanoate
PubChem CID54187007
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-(4-amino-2-methylphenyl)propanoate
SMILESCOC(=O)CCc1ccc(N)cc1C
InChIInChI=1S/C11H15NO2/c1-8-7-10(12)5-3-9(8)4-6-11(13)14-2/h3,5,7H,4,6,12H2,1-2H3
InChIKeyPFUCHFQQAZBFDR-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-2-(3-methoxy-3-oxopropyl)benzoate
CID 134648398
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
methyl 3-(3-amino-4-chloro-2-methylphenyl)propanoate
CID 58288449
methyl 3-(2-amino-4-fluoro-3,5-dimethylphenyl)propanoate
CID 142529147
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 2-(3-methoxy-3-oxopropyl)-5-methylbenzoate
CID 134614148
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
methyl 3-(2-amino-4-methoxycarbothioylphenyl)propanoate
CID 87938016
methyl 3-(2-amino-4-fluoro-3,5-dimethylphenyl)propanoate;hydrochloride
CID 142529146

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-amino-2-methylphenyl)propanoate?
The IUPAC name of methyl 3-(4-amino-2-methylphenyl)propanoate (CID 54187007) is methyl 3-(4-amino-2-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-amino-2-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(4-amino-2-methylphenyl)propanoate is COC(=O)CCc1ccc(N)cc1C.
What is the InChIKey of methyl 3-(4-amino-2-methylphenyl)propanoate?
The InChIKey is PFUCHFQQAZBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-7-10(12)5-3-9(8)4-6-11(13)14-2/h3,5,7H,4,6,12H2,1-2H3.
What are the key properties of methyl 3-(4-amino-2-methylphenyl)propanoate?
methyl 3-(4-amino-2-methylphenyl)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-amino-2-methylphenyl)propanoate is sourced from PubChem (CID 54187007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).