4-{1-[(tert-butoxycarbonyl)amino]cyclopropyl}phenylboronic acid

4-{1-[(tert-butoxycarbonyl)amino]cyclopropyl}phenylboronic acid

CAS: 1217500-58-7

Formula: C14H20BNO4

SMILES: CC(C)(C)OC(=O)NC1(CC1)C1=CC=C(C=C1)B(O)O

IUPAC: [4-(1-{[(tert-butoxy)carbonyl]amino}cyclopropyl)phenyl]boronic acid

InChI: InChI=1S/C14H20BNO4/c1-13(2,3)20-12(17)16-14(8-9-14)10-4-6-11(7-5-10)15(18)19/h4-7,18-19H,8-9H2,1-3H3,(H,16,17)

Composition: C (60.68%), H (7.27%), B (3.90%), N (5.05%), O (23.09%)

Molar Mass: 277.13

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.148538
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	VRDOSXBUZHSBKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.05
Topological Polar Surface Area	78.79
Polarizability	29.44
Ring Count	2
Rotatable Bond Count	5

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