Chemical ID: 6506030

C(CC(=O)N(CCC#N)CCC#N)CC(=O)O
Chemical ID:
6506030
Name [?]:
5-[bis(2-cyanoethyl)amino]-5-oxo-pentanoic acid
SMILES [?]:
C(CC(=O)N(CCC#N)CCC#N)CC(=O)O
InChi [?]:
InChI=1/C11H15N3O3/c12-6-2-8-14(9-3-7-13)10(15)4-1-5-11(16)17/h1-5,8-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,11,2,14,8,12,6,10,3,15,9,13,5,4,16,17/E:(2,3)(6,7)(8,9)(12,13)(16,17)/rA:17nCCCONCCCNCCCNCCOO/rB:s1;s2;d3;s3;s5;s6;s7;t8;s5;s10;s11;t12;s1;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15N3O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.01635
Area:482.546
Solvation:-5.04729
Coulombic:-43.3993
Bond Count [?]
All:16
Single:12
Double:2
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.255
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-1.12
LogP (Chemaxon):-0.23

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