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(3S,4R)-1-(tert-butoxycarbonyl)-4-(pyridin-3-yl)pyrrolidine-3-carboxylic acid

(3S,4R)-1-(tert-butoxycarbonyl)-4-(pyridin-3-yl)pyrrolidine-3-carboxylic acid

CAS: 1212132-10-9

Formula: C15H20N2O4

SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C1=CC=CN=C1)C(O)=O

IUPAC: (3S,4R)-1-[(tert-butoxy)carbonyl]-4-(pyridin-3-yl)pyrrolidine-3-carboxylic acid

InChI: InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-11(12(9-17)13(18)19)10-5-4-6-16-7-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12+/m0/s1

Composition: C (61.63%), H (6.90%), N (9.58%), O (21.89%)

Molar Mass: 292.335

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 292.142307132
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SJINPULFJCWKFE-NWDGAFQWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.73
Topological Polar Surface Area 79.73
Polarizability 29.58
Ring Count 2
Rotatable Bond Count 4

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95% <5 Days 1212132-10-9 $226.98-$793.17$226.98$407.30$793.17
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