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(3R)-3-{[(benzyloxy)carbonyl]amino}-4-(tert-butoxy)butanoic acid

(3R)-3-{[(benzyloxy)carbonyl]amino}-4-(tert-butoxy)butanoic acid

CAS: 2350078-91-8

Formula: C16H23NO5

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

IUPAC: (3R)-3-{[(benzyloxy)carbonyl]amino}-4-(tert-butoxy)butanoic acid

InChI: InChI=1S/C16H23NO5/c1-16(2,3)22-11-13(9-14(18)19)17-15(20)21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/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 1
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 RQYKDNXKJSUJDG-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.9
Topological Polar Surface Area 84.86
Polarizability 31.89
Ring Count 1
Rotatable Bond Count 9

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