2-[(tert-butoxycarbonyl)amino]-2-(trifluoromethyl)pent-4-enoic acid

2-[(tert-butoxycarbonyl)amino]-2-(trifluoromethyl)pent-4-enoic acid

CAS: 1260807-59-7

Formula: C11H16F3NO4

SMILES: CC(C)(C)OC(=O)NC(CC=C)(C(O)=O)C(F)(F)F

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-2-(trifluoromethyl)pent-4-enoic acid

InChI: InChI=1/C11H16F3NO4/c1-5-6-10(7(16)17,11(12,13)14)15-8(18)19-9(2,3)4/h5H,1,6H2,2-4H3,(H,15,18)(H,16,17)

Composition: C (46.65%), H (5.69%), F (20.12%), N (4.95%), O (22.59%)

Molar Mass: 283.247

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	283.103142488
Formal Charge	0
FSP3	0.64
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BPXIPZOEAXQHNJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.95
Topological Polar Surface Area	75.63
Polarizability	22.79
Ring Count	0
Rotatable Bond Count	7

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