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2,5-dioxopyrrolidin-1-yl (2S)-2-[(tert-butoxycarbonyl)amino]propanoate

2,5-dioxopyrrolidin-1-yl (2S)-2-[(tert-butoxycarbonyl)amino]propanoate

CAS: 3392-05-0

Formula: C12H18N2O6

SMILES: C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}propanoate

InChI: InChI=1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)/t7-/m0/s1

Composition: C (50.35%), H (6.34%), N (9.79%), O (33.53%)

Molar Mass: 286.284

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 286.116486308
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey COMUWNFVTWKSDT-ZETCQYMHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.92
Topological Polar Surface Area 102.01
Polarizability 26.28
Ring Count 1
Rotatable Bond Count 6

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