methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate

C14H17NO3 — CID 71520642

IUPACmethyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
SMILESCOC(=O)CCc1cn(C)c2cc(OC)ccc12
InChIInChI=1S/C14H17NO3/c1-15-9-10(4-7-14(16)18-3)12-6-5-11(17-2)8-13(12)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyXSXYQPLIMHIGKB-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.29
Rot. Bonds4

About methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate

methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate (PubChem CID 71520642) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
PubChem CID71520642
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
SMILESCOC(=O)CCc1cn(C)c2cc(OC)ccc12
InChIInChI=1S/C14H17NO3/c1-15-9-10(4-7-14(16)18-3)12-6-5-11(17-2)8-13(12)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyXSXYQPLIMHIGKB-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-methyl-6-(pentylcarbamoyloxy)indol-3-yl]propanoate
CID 140669701
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
methyl 2-[1-methyl-6-(trifluoromethylsulfonyloxy)indol-3-yl]acetate
CID 86625402
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
methyl 3-(7-methoxy-2-methylquinolin-4-yl)propanoate
CID 82578206
3-(6-hydroxy-1-methylindol-3-yl)propanoic acid
CID 71537680
methyl 3-(2-formyl-4-methoxyphenyl)propanoate
CID 87139942
methyl 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoate
CID 18450017
potassium 3-[6-[ethyl(methyl)carbamoyl]oxy-1-methylindol-3-yl]propanoate
CID 172867585
6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
CID 154543935
CID 154543935
methyl 3-[1-[4-(iodomethyl)phenyl]sulfonyl-5-methoxyindol-3-yl]propanoate
CID 89345094

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate?
The IUPAC name of methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate (CID 71520642) is methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate?
The canonical SMILES for methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate is COC(=O)CCc1cn(C)c2cc(OC)ccc12.
What is the InChIKey of methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate?
The InChIKey is XSXYQPLIMHIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15-9-10(4-7-14(16)18-3)12-6-5-11(17-2)8-13(12)15/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate?
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate has a molecular weight of 247.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate is sourced from PubChem (CID 71520642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).