Chemical ID: 5007531

CCCCN(CCCC)CC(=O)O
Chemical ID:
5007531
Name [?]:
2-dibutylaminoacetic acid
SMILES [?]:
CCCCN(CCCC)CC(=O)O
InChi [?]:
InChI=1/C10H21NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-9H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,4,6,10,11,5,12,13/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:13nCCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H21NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.9955
Area:406.348
Solvation:-2.16321
Coulombic:-32.6536
Bond Count [?]
All:12
Single:11
Double:1
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:187.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.15
LogP (Chemaxon):-0.56

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue