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2-[(tert-butoxycarbonyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-[(tert-butoxycarbonyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

CAS: 98569-12-1

Formula: C16H21NO4

SMILES: CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C2C1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

InChI: InChI=1/C16H21NO4/c1-15(2,3)21-14(20)17-16(13(18)19)9-8-11-6-4-5-7-12(11)10-16/h4-7H,8-10H2,1-3H3,(H,17,20)(H,18,19)

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 291.14705816
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DSDQZWPRZHNCIX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.86
Topological Polar Surface Area 75.63
Polarizability 30.45
Ring Count 2
Rotatable Bond Count 4

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