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Chemical ID: 6682689
Chemical ID:
6682689
Name [?]:
2-[6-[bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid
SMILES [?]:
C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,14,3,15,4,17,21,6,10,18,22,7,11,16,5,19,20,23,24,8,9,12,13/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18,19,20,21,22,23,24)/gE:(1,2,3,4)/rA:24nCCCCNCCOOCCOOCCNCCOOCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s5;s10;d11;s11;s1;s14;s15;s16;s17;d18;s18;s16;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O8 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27763 |
Area: | 587.276 |
Solvation: | -5.40428 |
Coulombic: | -116.289 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 348.349 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | -1.12 |
LogP (Chemaxon): | -6.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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