3-(2-Aminoethyl)-5-methoxy-1H-indole-2-carboxylic Acid - CAS 52648-13-2
Catalog: |
BB073305 |
Product Name: |
3-(2-Aminoethyl)-5-methoxy-1H-indole-2-carboxylic Acid |
CAS: |
52648-13-2 |
Synonyms: |
Indole-2-carboxylic acid, 3-(2-aminoethyl)-5-methoxy- (6CI,7CI); 3-(2-Aminoethyl)-5-methoxy-1H-indole-2-carboxylic acid; 2-Carboxy-5-methoxytryptamine; 5-Methoxytryptamine-2-carboxylic acid |
IUPAC Name: | 3-(2-aminoethyl)-5-methoxy-1H-indole-2-carboxylic acid |
Molecular Weight: | 234.25 |
Molecular Formula: | C12H14N2O3 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC(=C2CCN)C(=O)O |
InChI: | InChI=1S/C12H14N2O3/c1-17-7-2-3-10-9(6-7)8(4-5-13)11(14-10)12(15)16/h2-3,6,14H,4-5,13H2,1H3,(H,15,16) |
InChI Key: | FBEQOUNJJYSFJU-UHFFFAOYSA-N |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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