(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid

CAS: 250611-12-2

Formula: C18H27NO4

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-tert-butylphenyl)propanoic acid

InChI: InChI=1S/C18H27NO4/c1-17(2,3)13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)23-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1

Composition: C (67.26%), H (8.47%), N (4.36%), O (19.91%)

Molar Mass: 321.417

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	321.194008353
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NGWQIBYYDHXJJR-CQSZACIVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.66
Topological Polar Surface Area	75.63
Polarizability	34.77
Ring Count	1
Rotatable Bond Count	7

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