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

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

CAS: 203866-13-1

Formula: C10H16FNO4

SMILES: CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(O)=O

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

InChI: InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1

Composition: C (51.50%), H (6.91%), F (8.15%), N (6.01%), O (27.44%)

Molar Mass: 233.239

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	233.106336162
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YGWZXQOYEBWUTH-BQBZGAKWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.69
Topological Polar Surface Area	66.84
Polarizability	20.76
Ring Count	1
Rotatable Bond Count	3

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