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(2S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoic acid

(2S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 23680-31-1

Formula: C15H21NO5

SMILES: CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(O)=O

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

InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 295.14197278
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DMBKPDOAQVGTST-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.28
Topological Polar Surface Area 84.86
Polarizability 30.05
Ring Count 1
Rotatable Bond Count 8

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