N-carboxyethyl-amphetamine

HCID 14463243

Notes Reactions

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Basic information

CAS: 128013-73-0
Standard SMILES: CC(Cc1ccccc1)NCCC(=O)O
InChIKey: SPZSYNHDKYXHDI-UHFFFAOYSA-N
Molecular formula: C12H17NO2
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.12592878

Names & identifiers

Preferred name: N-carboxyethyl-amphetamine
IUPAC: 3-(1-phenylpropan-2-ylamino)propanoic acid

Names & synonyms

N-carboxyethyl-amphetamineSCHEMBL6822977SPZSYNHDKYXHDI-UHFFFAOYSA-NDTXSID501291114AKOS005356561N-(1-Phenylpropan-2-yl)-beta-alanine128013-73-0N-(1-Methyl-2-phenylethyl)-I(2)-alanine

Database identifiers

CAS: 128013-73-0
PubChem CID: 14463243
DTXSID: DTXSID501291114
Nikkaji: J258.849H

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 188

Related reactions

3 records

New reaction record

HRID 6438As productuspto-grants-1993_09

HRID 1707558As productuspto-grants-1994_10

HRID 2372880As productuspto-grants-1992_03

Compound notes

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