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Chemical ID: 6671551
Chemical ID:
6671551
Name [?]:
2-acetamido-6-amino-hexanoic acid
SMILES [?]:
CC(=O)NC(CCCCN)C(=O)O
InChi [?]:
InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,11,10,4,3,12,13/E:(12,13)/rA:13cCCONCCCCCNCOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s5;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16N2O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.44009 |
Area: | 387.502 |
Solvation: | -3.24747 |
Coulombic: | -58.2882 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 188.224 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.51 |
LogP (Chemaxon): | -3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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