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(3R,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-3-carboxylic acid

CAS: 1119512-35-4

Formula: C11H19NO4

SMILES: C[C@H]1CN(C[C@@H]1C(O)=O)C(=O)OC(C)(C)C

IUPAC: (3R,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid

InChI: InChI=1S/C11H19NO4/c1-7-5-12(6-8(7)9(13)14)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1

Composition: C (57.63%), H (8.35%), N (6.11%), O (27.91%)

Molar Mass: 229.276

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 229.131408096
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IPLCSDCAWNDONJ-YUMQZZPRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.79
Topological Polar Surface Area 66.84
Polarizability 22.76
Ring Count 1
Rotatable Bond Count 3

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