2-(2,6-diaminohexanamido)-3-methylbutanoic acid; trifluoroacetic acid

2-(2,6-diaminohexanamido)-3-methylbutanoic acid; trifluoroacetic acid

Formula: C13H24F3N3O5

SMILES: OC(=O)C(F)(F)F.CC(C)C(NC(=O)C(N)CCCCN)C(O)=O

IUPAC: 2-(2,6-diaminohexanamido)-3-methylbutanoic acid; trifluoroacetic acid

InChI: InChI=1/C11H23N3O3.C2HF3O2/c1-7(2)9(11(16)17)14-10(15)8(13)5-3-4-6-12;3-2(4,5)1(6)7/h7-9H,3-6,12-13H2,1-2H3,(H,14,15)(H,16,17);(H,6,7)

Composition: C (43.45%), H (6.73%), F (15.86%), N (11.69%), O (22.26%)

Molar Mass: 359.346

Atom Count: 48

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	359.166805374
Formal Charge	0
FSP3	0.77
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
InChIKey	XOVLJEIRPNFSAI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.1
Topological Polar Surface Area	118.44
Polarizability	25.79
Ring Count	0
Rotatable Bond Count	9

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H24F3N3O5		Quote Only