methyl 3-(methylamino)-2-(3-methylphenyl)propanoate

C12H17NO2 — CID 117243238

IUPACmethyl 3-(methylamino)-2-(3-methylphenyl)propanoate
SMILESCNCC(C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)11(8-13-2)12(14)15-3/h4-7,11,13H,8H2,1-3H3
InChIKeyGRCLIEZSNAHQFY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.47
Rot. Bonds4

About methyl 3-(methylamino)-2-(3-methylphenyl)propanoate

methyl 3-(methylamino)-2-(3-methylphenyl)propanoate (PubChem CID 117243238) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 3-(methylamino)-2-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-2-(3-methylphenyl)propanoate
PubChem CID117243238
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 3-(methylamino)-2-(3-methylphenyl)propanoate
SMILESCNCC(C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)11(8-13-2)12(14)15-3/h4-7,11,13H,8H2,1-3H3
InChIKeyGRCLIEZSNAHQFY-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
(2R)-4-methoxy-2-(3-methylphenyl)-4-oxobutanoic acid
CID 159328207
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
methyl 2-[amino-(3-methylphenyl)methyl]-3-methylbutanoate
CID 116946100
ethane;methyl 3-amino-3-(3-methylphenyl)propanoate
CID 143672007
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
N,2-dimethyl-3-(3-methylphenyl)butan-1-amine
CID 81016539

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-2-(3-methylphenyl)propanoate?
The IUPAC name of methyl 3-(methylamino)-2-(3-methylphenyl)propanoate (CID 117243238) is methyl 3-(methylamino)-2-(3-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-(methylamino)-2-(3-methylphenyl)propanoate?
The canonical SMILES for methyl 3-(methylamino)-2-(3-methylphenyl)propanoate is CNCC(C(=O)OC)c1cccc(C)c1.
What is the InChIKey of methyl 3-(methylamino)-2-(3-methylphenyl)propanoate?
The InChIKey is GRCLIEZSNAHQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-4-6-10(7-9)11(8-13-2)12(14)15-3/h4-7,11,13H,8H2,1-3H3.
What are the key properties of methyl 3-(methylamino)-2-(3-methylphenyl)propanoate?
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-2-(3-methylphenyl)propanoate is sourced from PubChem (CID 117243238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).