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(2R)-2-[(tert-butoxycarbonyl)amino]-3-[3-(methoxycarbonyl)phenyl]propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-[3-(methoxycarbonyl)phenyl]propanoic acid

CAS: 2349423-85-2

Formula: C16H21NO6

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[3-(methoxycarbonyl)phenyl]propanoic acid

InChI: InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(13(18)19)9-10-6-5-7-11(8-10)14(20)22-4/h5-8,12H,9H2,1-4H3,(H,17,21)(H,18,19)/t12-/m1/s1

Composition: C (59.43%), H (6.55%), N (4.33%), O (29.69%)

Molar Mass: 323.345

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 323.1368874
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NLVHCBFEQDDHPL-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.01
Topological Polar Surface Area 101.93
Polarizability 31.98
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2349423-85-2 $11,362.00-$3,312.00$2,162.00$3,312.00$11,362.00
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