2-[2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate hydrochloride

2-[2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate hydrochloride

Formula: C18H28ClN3O3

SMILES: O.Cl.NC(C(=O)N1C2CC2CC1C#N)C12CC3CC(CC(O)(C3)C1)C2

IUPAC: 2-[2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrate hydrochloride

InChI: InChI=1/C18H25N3O2.ClH.H2O/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;;/h10-15,23H,1-7,9,20H2;1H;1H2

Composition: C (58.45%), H (7.63%), Cl (9.58%), N (11.36%), O (12.98%)

Molar Mass: 369.89

Atom Count: 53

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	6
Exact Mass	369.1819195
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VDEKWSPOAKFGSV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.99
Topological Polar Surface Area	90.35
Polarizability	33.45
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C18H28ClN3O3		Quote Only