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

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

CAS: 269398-85-8

Formula: C16H23NO4

SMILES: CC1=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-methylphenyl)butanoic acid

InChI: InChI=1S/C16H23NO4/c1-11-5-7-12(8-6-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1

Composition: C (65.51%), H (7.90%), N (4.77%), O (21.81%)

Molar Mass: 293.363

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 293.162708225
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KAHQBNUMNOJEPZ-CYBMUJFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.65
Topological Polar Surface Area 75.63
Polarizability 31.09
Ring Count 1
Rotatable Bond Count 7

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