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Chemical ID: 5326867
Chemical ID:
5326867
Name [?]:
4-amino-4-ethyl-pentanedioic acid
SMILES [?]:
CCC(CCC(=O)O)(C(=O)O)N
InChi [?]:
InChI=1/C7H13NO4/c1-2-7(8,6(11)12)4-3-5(9)10/h2-4,8H2,1H3,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,9,3,12,7,8,10,11/E:(9,10)(11,12)/rA:12cCCCCCCOOCOON/rB:s1;s2;s3;s4;s5;d6;s6;s3;d9;s9;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H13NO4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.74625 |
Area: | 340.107 |
Solvation: | -2.75642 |
Coulombic: | -64.7176 |
Bond Count [?]
All: | 11 |
Single: | 9 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 175.182 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -2.88 |
LogP (Chemaxon): | -2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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