3-(2-(Ethoxycarbonyl)-1H-indol-3-yl)propanoic acid

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Basic information

CAS: 63158-58-7
Standard SMILES: CCOC(=O)c1[nH]c2ccccc2c1CCC(=O)O
InChIKey: SAHLQESAZQTCAU-UHFFFAOYSA-N
Molecular formula: C14H15NO4
Average molar mass: 261.27 g/mol
Monoisotopic mass: 261.10010796

Names & identifiers

Preferred name: 3-(2-(Ethoxycarbonyl)-1H-indol-3-yl)propanoic acid
IUPAC: 3-(2-ethoxycarbonyl-1H-indol-3-yl)propanoic acid

Names & synonyms

63158-58-73-(2-(Ethoxycarbonyl)-1H-indol-3-yl)propanoic acid3-[2-(ethoxycarbonyl)-1H-indol-3-yl]propanoic acid1H-Indole-3-propanoic acid, 2-(ethoxycarbonyl)-DTXSID60415858HMS3433L11AKOS001769569CCG-125317InChI=1/C14H15NO4/c1-2-19-14(18)13-10(7-8-12(16)17)9-5-3-4-6-11(9)15-13/h3-6,15H,2,7-8H2,1H3,(H,16,17

Database identifiers

CAS: 63158-58-7
PubChem CID: 5324006
DTXSID: DTXSID60415858

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 79.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 344

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Compound notes

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