1,5-dimethyl 2-[(tert-butoxycarbonyl)amino]-4-(cyanomethyl)pentanedioate

1,5-dimethyl 2-[(tert-butoxycarbonyl)amino]-4-(cyanomethyl)pentanedioate

Formula: C14H22N2O6

SMILES: COC(=O)C(CC#N)CC(NC(=O)OC(C)(C)C)C(=O)OC

IUPAC: 1,5-dimethyl 2-{[(tert-butoxy)carbonyl]amino}-4-(cyanomethyl)pentanedioate

InChI: InChI=1/C14H22N2O6/c1-14(2,3)22-13(19)16-10(12(18)21-5)8-9(6-7-15)11(17)20-4/h9-10H,6,8H2,1-5H3,(H,16,19)

Composition: C (53.49%), H (7.05%), N (8.91%), O (30.54%)

Molar Mass: 314.338

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	314.147786436
Formal Charge	0
FSP3	0.71
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QVTOOWHELURIDU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.52
Topological Polar Surface Area	114.72
Polarizability	29.96
Ring Count	0
Rotatable Bond Count	10

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H22N2O6		Quote Only