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Chemical ID: 6692248
Chemical ID:
6692248
Name [?]:
6-amino-2-(3-aminopropanoylamino)hexanoic acid
SMILES [?]:
C(CCN)CC(C(=O)O)NC(=O)CCN
InChi [?]:
InChI=1/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,13,3,14,6,11,7,4,15,10,12,8,9/E:(14,15)/rA:15cCCCNCCCOONCOCCN/rB:s1;s2;s3;s1;s5;s6;d7;s7;s6;s10;d11;s11;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19N3O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.50741 |
Area: | 434.536 |
Solvation: | -3.35599 |
Coulombic: | -70.836 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 217.266 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -1.45 |
LogP (Chemaxon): | -4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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