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

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

CAS: 500789-05-9

Formula: C14H18ClNO4

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=C(Cl)C=CC=C1)C(O)=O

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

InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

Composition: C (56.10%), H (6.05%), Cl (11.83%), N (4.67%), O (21.35%)

Molar Mass: 299.75

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 299.0924358
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey TUUQJNHCVFJMPU-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.79
Topological Polar Surface Area 75.63
Polarizability 29.42
Ring Count 1
Rotatable Bond Count 6

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95% <5 Days 500789-05-9 $480.00-$2,120.00$480.00$2,120.00
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