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

C12H17NO2 — CID 60691173

IUPACmethyl 2-[(3-methylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-13-10(2)12(14)15-3/h4-7,10,13H,8H2,1-3H3
InChIKeyFIFIOBTWNWTSBT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds4

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

methyl 2-[(3-methylphenyl)methylamino]propanoate (PubChem CID 60691173) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-[(3-methylphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methylphenyl)methylamino]propanoate
PubChem CID60691173
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-[(3-methylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-13-10(2)12(14)15-3/h4-7,10,13H,8H2,1-3H3
InChIKeyFIFIOBTWNWTSBT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
(2R)-2-[[3-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 95003579

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3-methylphenyl)methylamino]propanoate (CID 60691173) is methyl 2-[(3-methylphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-methylphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3-methylphenyl)methylamino]propanoate is COC(=O)C(C)NCc1cccc(C)c1.
What is the InChIKey of methyl 2-[(3-methylphenyl)methylamino]propanoate?
The InChIKey is FIFIOBTWNWTSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-5-4-6-11(7-9)8-13-10(2)12(14)15-3/h4-7,10,13H,8H2,1-3H3.
What are the key properties of methyl 2-[(3-methylphenyl)methylamino]propanoate?
methyl 2-[(3-methylphenyl)methylamino]propanoate has a molecular weight of 207.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylphenyl)methylamino]propanoate is sourced from PubChem (CID 60691173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).