2-amino-3-[4-(tert-butoxy)phenyl]-2-methylpropanoic acid

2-amino-3-[4-(tert-butoxy)phenyl]-2-methylpropanoic acid

CAS: 18822-59-8

Formula: C14H21NO3

SMILES: CC(C)(C)OC1=CC=C(CC(C)(N)C(O)=O)C=C1

IUPAC: 2-amino-3-[4-(tert-butoxy)phenyl]-2-methylpropanoic acid

InChI: InChI=1/C14H21NO3/c1-13(2,3)18-11-7-5-10(6-8-11)9-14(4,15)12(16)17/h5-8H,9,15H2,1-4H3,(H,16,17)

Composition: C (66.91%), H (8.42%), N (5.57%), O (19.10%)

Molar Mass: 251.326

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.15214354
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PVOLDVYXXMZPIL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.1
Topological Polar Surface Area	72.55
Polarizability	27.77
Ring Count	1
Rotatable Bond Count	5

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