tert-butyl (3aR,5R,6aS)-5-hydroxy-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

tert-butyl (3aR,5R,6aS)-5-hydroxy-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

CAS: 912563-45-2

Formula: C12H21NO3

SMILES: [H][C@@]12C[C@H](O)C[C@]1([H])CN(C2)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3aR,5R,6aS)-5-hydroxy-octahydrocyclopenta[c]pyrrole-2-carboxylate

InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-10,14H,4-7H2,1-3H3/t8-,9+,10+

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	227.15214354
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DIDQRACXWWEPDZ-ILWJIGKKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.64
Topological Polar Surface Area	49.77
Polarizability	23.92
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95.87%	<7 Days	912563-45-2		$16.83-$485.27$16.83$25.25$100.05$485.27