7-(tert-butoxycarbonyl)-3-oxo-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

7-(tert-butoxycarbonyl)-3-oxo-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

CAS: 1824414-35-8

Formula: C12H17NO5

SMILES: CC(C)(C)OC(=O)N1C2CCC1(CC2=O)C(O)=O

IUPAC: 7-[(tert-butoxy)carbonyl]-3-oxo-7-azabicyclo[2.2.1]heptane-1-carboxylic acid

InChI: InChI=1/C12H17NO5/c1-11(2,3)18-10(17)13-7-4-5-12(13,9(15)16)6-8(7)14/h7H,4-6H2,1-3H3,(H,15,16)

Composition: C (56.46%), H (6.71%), N (5.49%), O (31.34%)

Molar Mass: 255.27

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	255.110672651
Formal Charge	0
FSP3	0.75
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BSTZJNFIHJNFQF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.55
Topological Polar Surface Area	83.91
Polarizability	24.02
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1824414-35-8		$366.95-$1,511.94$366.95$605.28$1,008.80$1,511.94