3-[(benzyloxy)carbonyl]-3,7-diazabicyclo[3.3.1]nonane-9-carboxylic acid

3-[(benzyloxy)carbonyl]-3,7-diazabicyclo[3.3.1]nonane-9-carboxylic acid

CAS: 1414958-26-1

Formula: C16H20N2O4

SMILES: OC(=O)C1C2CNCC1CN(C2)C(=O)OCC1=CC=CC=C1

IUPAC: 3-[(benzyloxy)carbonyl]-3,7-diazabicyclo[3.3.1]nonane-9-carboxylic acid

InChI: InChI=1/C16H20N2O4/c19-15(20)14-12-6-17-7-13(14)9-18(8-12)16(21)22-10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2,(H,19,20)

Composition: C (63.14%), H (6.62%), N (9.20%), O (21.03%)

Molar Mass: 304.346

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	304.142307132
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AYWFKTHYLXRMOV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.65
Topological Polar Surface Area	78.87
Polarizability	31.26
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1414958-26-1		$1,147.70-$3,312.00$1,147.70$1,713.50$3,312.00$11,362.00