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Chemical ID: 4921541
Chemical ID:
4921541
Name [?]:
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid
SMILES [?]:
C(CN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H24N2O8/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,13,18,2,4,12,17,9,10,22,6,14,19,3,11,23,24,7,8,15,16,20,21/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:24nCCNCCCOOCCNCCCOOCCCOOCOO/rB:s1;s2;s3;s4;s5;d6;s6;s3;s9;s10;s11;s12;s13;d14;s14;s11;s17;s18;d19;s19;s1;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O8 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58657 |
Area: | 618.786 |
Solvation: | -5.88308 |
Coulombic: | -111.241 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 348.349 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 10 |
XLogP: | -1.92 |
LogP (Chemaxon): | -6.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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