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

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

CAS: 61280-75-9

Formula: C14H18N2O6

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

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

InChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1

Composition: C (54.19%), H (5.85%), N (9.03%), O (30.94%)

Molar Mass: 310.306

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	310.116486308
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XBQADBXCNQPHHY-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.31
Topological Polar Surface Area	118.77
Polarizability	29.48
Ring Count	1
Rotatable Bond Count	7

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