2-[(tert-butoxycarbonyl)amino]-3-(3,5-dimethylphenyl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(3,5-dimethylphenyl)propanoic acid

CAS: 849440-33-1

Formula: C16H23NO4

SMILES: CC1=CC(CC(NC(=O)OC(C)(C)C)C(O)=O)=CC(C)=C1

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dimethylphenyl)propanoic acid

InChI: InChI=1/C16H23NO4/c1-10-6-11(2)8-12(7-10)9-13(14(18)19)17-15(20)21-16(3,4)5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)

Composition: C (65.51%), H (7.90%), N (4.77%), O (21.81%)

Molar Mass: 293.363

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	293.162708225
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YTXNDRYCIWRWPG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.07
Topological Polar Surface Area	75.63
Polarizability	31.02
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	849440-33-1		$132.41-$573.76$132.41$195.46$573.76