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(2R)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-(4-methoxyphenyl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-(4-methoxyphenyl)propanoic acid

CAS: 155403-94-4

Formula: C16H23NO5

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(4-methoxyphenyl)propanoic acid

InChI: InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17(4)13(14(18)19)10-11-6-8-12(21-5)9-7-11/h6-9,13H,10H2,1-5H3,(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 1
InChIKey GVPXAJMOULURAZ-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.35
Topological Polar Surface Area 76.07
Polarizability 31.87
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 155403-94-4 $138.24-$311.04$138.24$207.36$311.04
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