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1-tert-butyl 3-ethyl (3S,4S)-4-(cyanomethyl)pyrrolidine-1,3-dicarboxylate

1-tert-butyl 3-ethyl (3S,4S)-4-(cyanomethyl)pyrrolidine-1,3-dicarboxylate

CAS: 1821691-15-9

Formula: C14H22N2O4

SMILES: CCOC(=O)[C@@H]1CN(C[C@H]1CC#N)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 3-ethyl (3S,4S)-4-(cyanomethyl)pyrrolidine-1,3-dicarboxylate

InChI: InChI=1S/C14H22N2O4/c1-5-19-12(17)11-9-16(8-10(11)6-7-15)13(18)20-14(2,3)4/h10-11H,5-6,8-9H2,1-4H3/t10-,11-/m1/s1

Composition: C (59.56%), H (7.85%), N (9.92%), O (22.67%)

Molar Mass: 282.34

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 282.157957196
Formal Charge 0
FSP3 0.79
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PDOSIGGXCDOEDP-GHMZBOCLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.55
Topological Polar Surface Area 79.63
Polarizability 28.37
Ring Count 1
Rotatable Bond Count 6

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95% 1 Day 1821691-15-9 $97.29-$176.90$97.29$176.90
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