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(3R)-3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid

CAS: 500788-89-6

Formula: C14H19NO5

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

IUPAC: (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-hydroxyphenyl)propanoic acid

InChI: InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(8-12(17)18)9-5-4-6-10(16)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

Composition: C (59.78%), H (6.81%), N (4.98%), O (28.44%)

Molar Mass: 281.308

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.126322716
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey KLIMLFKCLBBZKH-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.84
Topological Polar Surface Area 95.86
Polarizability 28.14
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
96% <7 Days 500788-89-6 $47.61-$212.18$47.61$77.63$212.18
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