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4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]butanoic acid

4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]butanoic acid

CAS: 876617-13-9

Formula: C16H23NO5

SMILES: CC(C)(C)OC(=O)NC(CCOCC1=CC=CC=C1)C(O)=O

IUPAC: 4-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid

InChI: InChI=1/C16H23NO5/c1-16(2,3)22-15(20)17-13(14(18)19)9-10-21-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)

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 RFDXPGUBDAKLDM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.14
Topological Polar Surface Area 84.86
Polarizability 31.89
Ring Count 1
Rotatable Bond Count 9

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