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tert-butyl (2S,4S)-4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

CAS: 401564-34-9

Formula: C13H22N2O4S

SMILES: CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCSC1

IUPAC: tert-butyl (2S,4S)-4-hydroxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C13H22N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h9-10,16H,4-8H2,1-3H3/t9-,10-/m0/s1

Composition: C (51.64%), H (7.33%), N (9.26%), O (21.16%), S (10.60%)

Molar Mass: 302.39

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 302.13002837
Formal Charge 0
FSP3 0.85
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CABJFRFFUZMDSS-UWVGGRQHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.29
Topological Polar Surface Area 70.08
Polarizability 30.1
Ring Count 2
Rotatable Bond Count 3

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