Basic information
- CAS
66859-92-5- Standard SMILES
NCCCc1c(C(=O)O)[nH]c2c(CC(=O)O)cccc12- InChIKey
PIXRGGVLRWHHIE-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Indole-7-acetic acid, 3-(3-aminopropyl)-2-carboxy-
- IUPAC
- 3-(3-aminopropyl)-7-(carboxymethyl)-1H-indole-2-carboxylic acid
Names & synonyms
66859-92-5INDOLE-7-ACETIC ACID, 3-(3-AMINOPROPYL)-2-CARBOXY-2-Carboxy-3-(gamma-aminopropyl)-indole-7-acetic acidDTXSID50216997RefChem:349351DTXCID801394883-(3-aminopropyl)-7-(carboxymethyl)-1H-indole-2-carboxylic acid
Database identifiers
- CAS
66859-92-5- PubChem CID
- 48223
- DTXSID
DTXSID50216997
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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