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

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

CAS: 76985-10-9

Formula: C18H21NO4

SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(O)=O

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

InChI: InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1

Composition: C (68.55%), H (6.71%), N (4.44%), O (20.29%)

Molar Mass: 315.369

Atom Count: 44

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 315.14705816
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey URKWHOVNPHQQTM-OAHLLOKOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.44
Topological Polar Surface Area 75.63
Polarizability 34.97
Ring Count 2
Rotatable Bond Count 6

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