alpha-Methylbiotin

2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid

Also Known As: alpha-Methylbiotin|methyl biotin|Biotin Impurity 6|Biotin, .alpha.-methyl-|9-Methyl Biotin (mixture of diastereomers)|NCI60_000979|2-Methyl-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid|1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-alpha-methyl-2-oxo-|1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo-|2-methyl-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid|Hexahydro-alpha-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid|5-(2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-2-methylpentanoic acid|5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-methylpentanoic acid

Molecular Formula	C11H18N2O3S
Molecular Weight	258.10382 g/mol
LogP	0.9
Topological Polar Surface Area	104.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	258.10382
Monoisotopic Mass	258.10382
Heavy Atoms	17
Complexity	324.0

Chemical Identifiers

CAS Number	35706-67-3
SMILES	CC(CCCC1C2C(CS1)NC(=O)N2)C(=O)O
InChIKey	UBBSLIBPXCFHDN-UHFFFAOYSA-N