methyl 3-[2-(aminomethyl)anilino]propanoate

C11H16N2O2 — CID 69214017

IUPACmethyl 3-[2-(aminomethyl)anilino]propanoate
SMILESCOC(=O)CCNc1ccccc1CN
InChIInChI=1S/C11H16N2O2/c1-15-11(14)6-7-13-10-5-3-2-4-9(10)8-12/h2-5,13H,6-8,12H2,1H3
InChIKeyIYQSCRVGDQVBLA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds5

About methyl 3-[2-(aminomethyl)anilino]propanoate

methyl 3-[2-(aminomethyl)anilino]propanoate (PubChem CID 69214017) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)anilino]propanoate
PubChem CID69214017
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 3-[2-(aminomethyl)anilino]propanoate
SMILESCOC(=O)CCNc1ccccc1CN
InChIInChI=1S/C11H16N2O2/c1-15-11(14)6-7-13-10-5-3-2-4-9(10)8-12/h2-5,13H,6-8,12H2,1H3
InChIKeyIYQSCRVGDQVBLA-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylanilino)propanoate
CID 12805940
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
methyl 4-(2-propylanilino)butanoate
CID 54963180
methyl 3-(2-ethenylanilino)propanoate
CID 174296547
methyl 4-(2-benzylanilino)butanoate
CID 43377876
methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
CID 82546914
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
methyl 3-[2-(methylamino)phenyl]propanoate
CID 54226185
methyl 3-[(2-hydroxyphenyl)methylamino]propanoate
CID 43139758
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)anilino]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)anilino]propanoate (CID 69214017) is methyl 3-[2-(aminomethyl)anilino]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)anilino]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)anilino]propanoate is COC(=O)CCNc1ccccc1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)anilino]propanoate?
The InChIKey is IYQSCRVGDQVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(14)6-7-13-10-5-3-2-4-9(10)8-12/h2-5,13H,6-8,12H2,1H3.
What are the key properties of methyl 3-[2-(aminomethyl)anilino]propanoate?
methyl 3-[2-(aminomethyl)anilino]propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)anilino]propanoate is sourced from PubChem (CID 69214017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).