1-(tert-butoxycarbonyl)-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid

1-(tert-butoxycarbonyl)-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid

CAS: 1935392-13-4

Formula: C11H19NO5

SMILES: CC(C)(C)OC(=O)N1CC(O)C(C)(C1)C(O)=O

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

InChI: InChI=1/C11H19NO5/c1-10(2,3)17-9(16)12-5-7(13)11(4,6-12)8(14)15/h7,13H,5-6H2,1-4H3,(H,14,15)

Composition: C (53.87%), H (7.81%), N (5.71%), O (32.61%)

Molar Mass: 245.275

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	245.126322716
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DUFNWGXIKVWFIZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.02
Topological Polar Surface Area	87.07
Polarizability	23.44
Ring Count	1
Rotatable Bond Count	3

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