7-(tert-butoxycarbonyl)-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid

7-(tert-butoxycarbonyl)-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid

CAS: 1341037-51-1

Formula: C13H21NO5

SMILES: CC(C)(C)OC(=O)N1CC2COCC(C1)C2C(O)=O

IUPAC: 7-[(tert-butoxy)carbonyl]-3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid

InChI: InChI=1/C13H21NO5/c1-13(2,3)19-12(17)14-4-8-6-18-7-9(5-14)10(8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)

Composition: C (57.55%), H (7.80%), N (5.16%), O (29.48%)

Molar Mass: 271.313

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	271.14197278
Formal Charge	0
FSP3	0.85
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VRWXODJRSXSVOM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.16
Topological Polar Surface Area	76.07
Polarizability	26.44
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1341037-51-1		$432.52-$1,779.27$432.52$712.47$1,186.60$1,779.27