Chemical ID: 4921541

C(CN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O)C(=O)O
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

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