2-iminobiotin
5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Molecular Identity
2-iminobiotin
5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
PubChem CID: 128878
2D Structure
Properties
C10H17N3O2S
Molecular Formula
243.33
Molecular Weight
g/mol
243.1041
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
308
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2-iminobiotin13395-35-2GuanidinobiotinHXH71NRQ5CDTXSID20158431Hexahydro-2-imino-1h-thieno(3,4-d)imidazole-4-pentanoic acid1H-Thieno(3,4-d)imidazole-4-pentanoic acid, 2-amino-3a,4,6,6a-tetrahydro-, (3aS-(3aalpha,4beta,6aalpha))-RefChem:87636DTXCID30809225-((3aS,4S,6aR)-2-amino-1H,3aH,4H,6H,6aH-thieno(3,4-d)imidazol-4-yl)pentanoic acid5-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid1H-Thieno[3,4-d]imidazole-6-pentanoicacid, 2-amino-3a,4,6,6a-tetrahydro-, (3aR,6S,6aS)-MFCD000661505-((3aR,6S,6aS)-2-Amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanoic acid5-((3AS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
Data from PubChem (NCBI)
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