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(2R,4S)-1-(tert-butoxycarbonyl)-4-sulfanylpyrrolidine-2-carboxylic acid

(2R,4S)-1-(tert-butoxycarbonyl)-4-sulfanylpyrrolidine-2-carboxylic acid

CAS: 2231664-43-8

Formula: C10H17NO4S

SMILES: CC(C)(C)OC(=O)N1C[C@@H](S)C[C@@H]1C(O)=O

IUPAC: (2R,4S)-1-[(tert-butoxy)carbonyl]-4-sulfanylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-5-6(16)4-7(11)8(12)13/h6-7,16H,4-5H2,1-3H3,(H,12,13)/t6-,7+/m0/s1

Composition: C (48.57%), H (6.93%), N (5.66%), O (25.88%), S (12.96%)

Molar Mass: 247.31

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 247.087829205
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CJGXPXFOEKLTEP-NKWVEPMBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.53
Topological Polar Surface Area 66.84
Polarizability 23.99
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2231664-43-8 $568.71-$6,804.36$568.71$907.92$1,511.94$2,268.54$6,804.36
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