methyl 2-(1-methylindol-4-yl)propanoate

C13H15NO2 — CID 102374940

IUPACmethyl 2-(1-methylindol-4-yl)propanoate
SMILESCOC(=O)C(C)c1cccc2c1ccn2C
InChIInChI=1S/C13H15NO2/c1-9(13(15)16-3)10-5-4-6-12-11(10)7-8-14(12)2/h4-9H,1-3H3
InChIKeySJWAOLKFWMYKSF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.45
Rot. Bonds2

About methyl 2-(1-methylindol-4-yl)propanoate

methyl 2-(1-methylindol-4-yl)propanoate (PubChem CID 102374940) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is methyl 2-(1-methylindol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-methylindol-4-yl)propanoate
PubChem CID102374940
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-(1-methylindol-4-yl)propanoate
SMILESCOC(=O)C(C)c1cccc2c1ccn2C
InChIInChI=1S/C13H15NO2/c1-9(13(15)16-3)10-5-4-6-12-11(10)7-8-14(12)2/h4-9H,1-3H3
InChIKeySJWAOLKFWMYKSF-UHFFFAOYSA-N
XLogP2.45
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Acetic Acid
CID 802
Indoximod
CID 405012
Methyl indole-3-acetate
CID 74706
1-Methyl-L-tryptophan
CID 676159
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
L-Tryptophan, methyl ester
CID 77980
5-Fluoroindole-3-acetic acid
CID 96750
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
3-(1H-indol-3-yl)propanoate
CID 3292996
1-Methyltryptophan
CID 98112
3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 2772042

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylindol-4-yl)propanoate?
The IUPAC name of methyl 2-(1-methylindol-4-yl)propanoate (CID 102374940) is methyl 2-(1-methylindol-4-yl)propanoate.
What is the SMILES notation for methyl 2-(1-methylindol-4-yl)propanoate?
The canonical SMILES for methyl 2-(1-methylindol-4-yl)propanoate is COC(=O)C(C)c1cccc2c1ccn2C.
What is the InChIKey of methyl 2-(1-methylindol-4-yl)propanoate?
The InChIKey is SJWAOLKFWMYKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(13(15)16-3)10-5-4-6-12-11(10)7-8-14(12)2/h4-9H,1-3H3.
What are the key properties of methyl 2-(1-methylindol-4-yl)propanoate?
methyl 2-(1-methylindol-4-yl)propanoate has a molecular weight of 217.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylindol-4-yl)propanoate is sourced from PubChem (CID 102374940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).