methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate

C15H19NO3 — CID 58843105

IUPACmethyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-15(2,14(17)19-4)8-10-9-16-13-6-5-11(18-3)7-12(10)13/h5-7,9,16H,8H2,1-4H3
InChIKeyDDLSTAOYIWOSRY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds4

About methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate

methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate (PubChem CID 58843105) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
PubChem CID58843105
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H19NO3/c1-15(2,14(17)19-4)8-10-9-16-13-6-5-11(18-3)7-12(10)13/h5-7,9,16H,8H2,1-4H3
InChIKeyDDLSTAOYIWOSRY-UHFFFAOYSA-N
XLogP2.92
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
methyl 2-amino-3-(5-bromo-1H-indol-3-yl)-2-methylpropanoate
CID 90842063
methyl 2-methyl-2-nitro-3-[5-(trifluoromethoxy)-1H-indol-3-yl]propanoate
CID 72683042
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide
CID 86985649
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate (CID 58843105) is methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate?
The InChIKey is DDLSTAOYIWOSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,14(17)19-4)8-10-9-16-13-6-5-11(18-3)7-12(10)13/h5-7,9,16H,8H2,1-4H3.
What are the key properties of methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate?
methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 58843105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).