3-(Benzothiazol-6-ylamino)-butyric acid

HCID 59636191
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Basic information

Standard SMILES
CC(CC(=O)O)Nc1ccc2ncsc2c1
InChIKey
UVNZAASPJMPLGA-UHFFFAOYSA-N
Molecular formula
C11H12N2O2S
Average molar mass
236.29 g/mol

Names & identifiers

Preferred name
3-(Benzothiazol-6-ylamino)-butyric acid
IUPAC
3-(1,3-benzothiazol-6-ylamino)butanoic acid

Names & synonyms

3-(benzothiazol-6-ylamino)butyric acid3-(Benzothiazol-6-ylamino)-butyric acid1260009-31-1SCHEMBL3780111UVNZAASPJMPLGA-UHFFFAOYSA-NDB-330804

Database identifiers

PubChem CID
59636191

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
90.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Related reactions

4 records
New reaction record

Compound notes

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