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4-{1-[(tert-butoxycarbonyl)amino]cyclobutyl}benzoic acid

4-{1-[(tert-butoxycarbonyl)amino]cyclobutyl}benzoic acid

CAS: 1259223-99-8

Formula: C16H21NO4

SMILES: CC(C)(C)OC(=O)NC1(CCC1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(1-{[(tert-butoxy)carbonyl]amino}cyclobutyl)benzoic acid

InChI: InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-16(9-4-10-16)12-7-5-11(6-8-12)13(18)19/h5-8H,4,9-10H2,1-3H3,(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 0
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 LBWLDNNHMLBBFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.36
Topological Polar Surface Area 75.63
Polarizability 30.42
Ring Count 2
Rotatable Bond Count 5

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