2-{[(2-imino-1,3-dimethyl-4,6-dioxo-1,3-diazinan-5-ylidene)methyl]amino}pentanedioic acid

2-{[(2-imino-1,3-dimethyl-4,6-dioxo-1,3-diazinan-5-ylidene)methyl]amino}pentanedioic acid

Formula: C12H16N4O6

SMILES: CN1C(=N)N(C)C(=O)C(=CNC(CCC(O)=O)C(O)=O)C1=O

IUPAC: 2-{[(2-imino-1,3-dimethyl-4,6-dioxo-1,3-diazinan-5-ylidene)methyl]amino}pentanedioic acid

InChI: InChI=1/C12H16N4O6/c1-15-9(19)6(10(20)16(2)12(15)13)5-14-7(11(21)22)3-4-8(17)18/h5,7,13-14H,3-4H2,1-2H3,(H,17,18)(H,21,22)

Composition: C (46.15%), H (5.16%), N (17.94%), O (30.74%)

Molar Mass: 312.282

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	312.106984251
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	IBHUUZYCBUVUBI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.4
Topological Polar Surface Area	151.1
Polarizability	27.5
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00