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3-benzyl-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

3-benzyl-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

CAS: 1316757-61-5

Formula: C17H23NO4

SMILES: CC(C)(C)OC(=O)N1CCC(CC2=CC=CC=C2)(C1)C(O)=O

IUPAC: 3-benzyl-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

InChI: InChI=1/C17H23NO4/c1-16(2,3)22-15(21)18-10-9-17(12-18,14(19)20)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)

Composition: C (66.86%), H (7.59%), N (4.59%), O (20.96%)

Molar Mass: 305.374

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 305.162708225
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JNQTXVYAMIYFDB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.51
Topological Polar Surface Area 66.84
Polarizability 32.28
Ring Count 2
Rotatable Bond Count 5

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97% <7 Days 1316757-61-5 $145.86-$2,114.04$145.86$290.79$640.48$1,682.07$2,114.04
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