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6-amino-2-[bis(carboxymethyl)amino]hexanoic acid

6-amino-2-[bis(carboxymethyl)amino]hexanoic acid

CAS: 113231-05-3

Formula: C10H18N2O6

SMILES: NCCCCC(N(CC(O)=O)CC(O)=O)C(O)=O

IUPAC: 6-amino-2-[bis(carboxymethyl)amino]hexanoic acid

InChI: InChI=1/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)

Composition: C (45.80%), H (6.92%), N (10.68%), O (36.60%)

Molar Mass: 262.262

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 262.116486308
Formal Charge 0
FSP3 0.7
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey SYFQYGMJENQVQT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.05
Topological Polar Surface Area 141.16
Polarizability 23.97
Ring Count 0
Rotatable Bond Count 10

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