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1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS: 851484-94-1

Formula: C17H23NO5

SMILES: COC1=CC=C(C=C1)C1CN(CC1C(O)=O)C(=O)OC(C)(C)C

IUPAC: 1-[(tert-butoxy)carbonyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)

Composition: C (63.54%), H (7.21%), N (4.36%), O (24.89%)

Molar Mass: 321.373

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 321.157622845
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ISEHHCOIDMZBSU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.35
Topological Polar Surface Area 76.07
Polarizability 32.99
Ring Count 2
Rotatable Bond Count 5

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