(4S)-4-Amino-4-(5-{[1-(sulfanylmethyl)cyclopropyl]methyl}-1,3,4-oxadiazol-2-yl)butanoic acid

HCID 83342011

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Basic information

CAS: 1565260-00-5
Standard SMILES: N[C@@H](CCC(=O)O)c1nnc(CC2(CS)CC2)o1
InChIKey: BWSIZWJJACTBAL-ZETCQYMHSA-N
Molecular formula: C11H17N3O3S
Average molar mass: 271.34 g/mol
Monoisotopic mass: 271.09906259

Names & identifiers

Preferred name: (4S)-4-Amino-4-(5-{[1-(sulfanylmethyl)cyclopropyl]methyl}-1,3,4-oxadiazol-2-yl)butanoic acid
IUPAC: (4S)-4-amino-4-[5-[[1-(sulfanylmethyl)cyclopropyl]methyl]-1,3,4-oxadiazol-2-yl]butanoic acid

Names & synonyms

DTXSID201120542(4S)-4-Amino-4-(5-{[1-(sulfanylmethyl)cyclopropyl]methyl}-1,3,4-oxadiazol-2-yl)butanoic acid1,3,4-Oxadiazole-2-butanoic acid, I(3)-amino-5-[[1-(mercaptomethyl)cyclopropyl]methyl]-, (I(3)S)-1565260-00-5

Database identifiers

CAS: 1565260-00-5
PubChem CID: 83342011
DTXSID: DTXSID201120542

Properties

Computed structural properties

XLogP: -2.6
Topological polar surface area: 103 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 312

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