(2S,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid

(2S,4R)-1-(tert-butoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid

CAS: 364750-80-1

Formula: C11H19NO4

SMILES: C[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(O)=O

IUPAC: (2S,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C11H19NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/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	MXKSXPYZNXUHEZ-SFYZADRCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.53
Topological Polar Surface Area	66.84
Polarizability	22.76
Ring Count	1
Rotatable Bond Count	3

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