methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate

C15H20N2O2 — CID 45252183

IUPACmethyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H20N2O2/c1-9-10(2)17-14-6-5-12(7-13(9)14)8-16-11(3)15(18)19-4/h5-7,11,16-17H,8H2,1-4H3
InChIKeyRXABOPWNQLQVLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds4

About methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate

methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate (PubChem CID 45252183) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
PubChem CID45252183
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C15H20N2O2/c1-9-10(2)17-14-6-5-12(7-13(9)14)8-16-11(3)15(18)19-4/h5-7,11,16-17H,8H2,1-4H3
InChIKeyRXABOPWNQLQVLD-UHFFFAOYSA-N
XLogP2.44
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 95586075
2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-phenylacetamide
CID 48561239
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
methyl 3-(2,3-dimethyl-1H-indol-5-yl)propanoate
CID 116996350
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate (CID 45252183) is methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate is COC(=O)C(C)NCc1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate?
The InChIKey is RXABOPWNQLQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-10(2)17-14-6-5-12(7-13(9)14)8-16-11(3)15(18)19-4/h5-7,11,16-17H,8H2,1-4H3.
What are the key properties of methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate?
methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate has a molecular weight of 260.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]propanoate is sourced from PubChem (CID 45252183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).