Lopobutan

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Basic information

CAS: 6582-30-5
Standard SMILES: CCCCCCCCCCCCOCCCNC(C)CC(=O)O
InChIKey: MLWPGZSCOZMERO-UHFFFAOYSA-N
Molecular formula: C19H39NO3
Average molar mass: 329.5 g/mol
Monoisotopic mass: 329.29299411

Names & identifiers

Preferred name: Lopobutan
IUPAC: 3-(3-dodecoxypropylamino)butanoic acid

Names & synonyms

Lopobutan6582-30-5Lopobutan [INN]UNII-L6IE0KAZ8OlopobutanoL6IE0KAZ8OLOPOBUTAN [WHO-DD](+-)-3-((3-(Dodecyloxy)propyl)amino)butyric acidlopobutanumRefChem:1540853-(3-dodecoxypropylamino)butanoic acid3-((3-(Dodecyloxy)propyl)amino)butanoic acid

Show more names

3-{[3-(DODECYLOXY)PROPYL]AMINO}BUTANOIC ACIDorb1696370SCHEMBL2110028CHEMBL2107406DTXSID00984311AKOS0305396923-((3-(Dodecyloxy)propyl)amino)butanoicacidT32874

Database identifiers

CAS: 6582-30-5
PubChem CID: 3045379
DTXSID: DTXSID00984311
ChEMBL: CHEMBL2107406
UNII: L6IE0KAZ8O

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 18
Heavy atoms: 23
Formal charge: 0
Complexity: 259

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Compound notes

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