(2R)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

CAS: 204692-75-1

Formula: C14H17Br2NO5

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

InChI: InChI=1S/C14H17Br2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)/t10-/m1/s1

Composition: C (38.30%), H (3.90%), Br (36.39%), N (3.19%), O (18.22%)

Molar Mass: 439.1

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	436.947349
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	FIKNCGRWSBGBKP-SNVBAGLBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.22
Topological Polar Surface Area	95.86
Polarizability	34.13
Ring Count	1
Rotatable Bond Count	6

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