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(3aR,5R,6aS)-2-(tert-butoxycarbonyl)-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid

(3aR,5R,6aS)-2-(tert-butoxycarbonyl)-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid

CAS: 442877-23-8

Formula: C13H21NO4

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

IUPAC: (3aR,5R,6aS)-2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-5-carboxylic acid

InChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-9-4-8(11(15)16)5-10(9)7-14/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9+,10-

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QGUILIYSENMTGT-OWUUHHOZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.21
Topological Polar Surface Area 66.84
Polarizability 25.7
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 442877-23-8 $319.77-$3,143.47$319.77$474.05$748.00$1,089.28$3,143.47
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