6-{[(benzyloxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid

6-{[(benzyloxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid

CAS: 1087789-02-3

Formula: C16H19NO4

SMILES: OC(=O)C1CC2(CC(C2)NC(=O)OCC2=CC=CC=C2)C1

IUPAC: 6-{[(benzyloxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid

InChI: InChI=1S/C16H19NO4/c18-14(19)12-6-16(7-12)8-13(9-16)17-15(20)21-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,20)(H,18,19)

Composition: C (66.42%), H (6.62%), N (4.84%), O (22.12%)

Molar Mass: 289.331

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	289.131408096
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YONHTWHYPRRKLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.47
Topological Polar Surface Area	75.63
Polarizability	29.73
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1087789-02-3		$494.31-$2,033.99$494.31$814.61$1,356.84$2,033.99