Basic information
- Standard SMILES
CCOC(=O)CNCCCNCc1ccc2c(c1)OCO2- InChIKey
XCWIZKWAZREOTP-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4
- Average molar mass
- 294.35 g/mol
Names & identifiers
- Preferred name
- 2-[[3-[(1,3-Benzodioxol-5-ylmethyl)amino]propyl]amino]acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)propylamino]acetate
Names & synonyms
2-([3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl]amino]acetic acid, ethyl ester2-[[3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl]amino]acetic acid, ethyl esterSCHEMBL6324177XCWIZKWAZREOTP-UHFFFAOYSA-N2-[[3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl]amino]acetic ethyl ester2-[[3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl]amino]acetic acid ethyl ester
Database identifiers
- PubChem CID
- 69742407
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
Related reactions
9 records
Linked notes
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