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Chemical ID: 6692314
Chemical ID:
6692314
Name [?]:
methyl 2-(2-acetamidoacetyl)amino-6-amino-hexanoate
SMILES [?]:
CC(=O)NCC(=O)NC(CCCCN)C(=O)OC
InChi [?]:
InChI=1/C11H21N3O4/c1-8(15)13-7-10(16)14-9(11(17)18-2)5-3-4-6-12/h9H,3-7,12H2,1-2H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,18,11,12,10,13,5,2,9,6,15,14,4,8,3,7,16,17/rA:18cCCONCCONCCCCCNCOOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s9;d15;s15;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21N3O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.2034 |
Area: | 499.509 |
Solvation: | -4.28433 |
Coulombic: | -71.0259 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 259.302 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -1.01 |
LogP (Chemaxon): | -2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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