Chemical ID: 6692314

CC(=O)NCC(=O)NC(CCCCN)C(=O)OC
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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