2-[[3-[(1,3-Benzodioxol-5-ylmethyl)amino]propyl]amino]acetic acid ethyl ester

HCID 69742407

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

Related reactions

9 records

Linked notes

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