3-(anthracen-9-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

3-(anthracen-9-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

Formula: C22H23NO4

SMILES: CC(C)(C)OC(=O)NC(CC1=C2C=CC=CC2=CC2=CC=CC=C12)C(O)=O

IUPAC: 3-(anthracen-9-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C22H23NO4/c1-22(2,3)27-21(26)23-19(20(24)25)13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-12,19H,13H2,1-3H3,(H,23,26)(H,24,25)

Composition: C (72.31%), H (6.34%), N (3.83%), O (17.51%)

Molar Mass: 365.429

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	365.162708225
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GYXDEFFXDFOZMJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.89
Topological Polar Surface Area	75.63
Polarizability	42.5
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C22H23NO4		Quote Only