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(2S)-1-(tert-butoxycarbonyl)-2-propylpyrrolidine-2-carboxylic acid

(2S)-1-(tert-butoxycarbonyl)-2-propylpyrrolidine-2-carboxylic acid

CAS: 706806-58-8

Formula: C13H23NO4

SMILES: CCC[C@]1(CCCN1C(=O)OC(C)(C)C)C(O)=O

IUPAC: (2S)-1-[(tert-butoxy)carbonyl]-2-propylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C13H23NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)/t13-/m0/s1

Composition: C (60.68%), H (9.01%), N (5.44%), O (24.87%)

Molar Mass: 257.33

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 257.162708225
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JPVUNRZZXRGUBY-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.9
Topological Polar Surface Area 66.84
Polarizability 26.41
Ring Count 1
Rotatable Bond Count 5

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