methyl 3-(1H-indol-3-yl)propanoate

C12H13NO2 — CID 21711

IUPACmethyl 3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3
InChIKeyBAYIDMGOQRXHBC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.27
Rot. Bonds3

About methyl 3-(1H-indol-3-yl)propanoate

methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 21711) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)propanoate
PubChem CID21711
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3
InChIKeyBAYIDMGOQRXHBC-UHFFFAOYSA-N
XLogP2.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl 3-(1H-indol-3-yl)propanoate (CID 21711) is methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)propanoate is COC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is BAYIDMGOQRXHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-12(14)7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,13H,6-7H2,1H3.
What are the key properties of methyl 3-(1H-indol-3-yl)propanoate?
methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 203.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 21711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).