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(2R,3S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]butanoic acid

(2R,3S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]butanoic acid

CAS: 69355-99-3

Formula: C16H23NO5

SMILES: C[C@H](OCC1=CC=CC=C1)[C@@H](NC(=O)OC(C)(C)C)C(O)=O

IUPAC: (2R,3S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)/t11-,13+/m0/s1

Composition: C (62.12%), H (7.49%), N (4.53%), O (25.86%)

Molar Mass: 309.362

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 309.157622845
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CTXPLTPDOISPTE-WCQYABFASA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.7
Topological Polar Surface Area 84.86
Polarizability 31.89
Ring Count 1
Rotatable Bond Count 8

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