3-{4-amino-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}propanoic acid

3-{4-amino-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}propanoic acid

Formula: C13H15N3O3S

SMILES: NN1C(CCC(O)=O)=NC2=C(C3=C(CCCC3)S2)C1=O

IUPAC: 3-{4-amino-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl}propanoic acid

InChI: InChI=1S/C13H15N3O3S/c14-16-9(5-6-10(17)18)15-12-11(13(16)19)7-3-1-2-4-8(7)20-12/h1-6,14H2,(H,17,18)

Composition: C (53.23%), H (5.15%), N (14.32%), O (16.36%), S (10.93%)

Molar Mass: 293.34

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	293.083412529
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LHBAFLNBWWBKSE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.45
Topological Polar Surface Area	95.99
Polarizability	27.73
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H15N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00