(2S)-3-[4-(tert-butoxy)phenyl]-2-acetamidopropanoic acid

(2S)-3-[4-(tert-butoxy)phenyl]-2-acetamidopropanoic acid

CAS: 201292-99-1

Formula: C15H21NO4

SMILES: CC(=O)N[C@@H](CC1=CC=C(OC(C)(C)C)C=C1)C(O)=O

IUPAC: (2S)-3-[4-(tert-butoxy)phenyl]-2-acetamidopropanoic acid

InChI: InChI=1S/C15H21NO4/c1-10(17)16-13(14(18)19)9-11-5-7-12(8-6-11)20-15(2,3)4/h5-8,13H,9H2,1-4H3,(H,16,17)(H,18,19)/t13-/m0/s1

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JLNUTWJSFBIAAS-ZDUSSCGKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.83
Topological Polar Surface Area	75.63
Polarizability	29.32
Ring Count	1
Rotatable Bond Count	6

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