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(3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-methoxyphenyl)butanoic acid

CAS: 1421258-64-1

Formula: C16H23NO5

SMILES: COC1=CC=C(C[C@H](CC(O)=O)NC(=O)OC(C)(C)C)C=C1

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

InChI: InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-12(10-14(18)19)9-11-5-7-13(21-4)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t12-/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 KZXRAYHRGMMYMD-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.08
Topological Polar Surface Area 84.86
Polarizability 31.87
Ring Count 1
Rotatable Bond Count 8

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97% <7 Days 1421258-64-1 $112.32-$689.28$112.32$172.80$689.28
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