Chemical ID: 6349364

CCCCN(CCCC)C(=O)CCC(=O)O
Chemical ID:
6349364
Name [?]:
4-dibutylamino-4-oxo-butanoic acid
SMILES [?]:
CCCCN(CCCC)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,2,8,3,7,12,13,4,6,10,14,5,11,15,16/E:(1,2)(3,4)(5,6)(9,10)(15,16)/rA:16nCCCCNCCCCCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.16301
Area:465.75
Solvation:-2.48074
Coulombic:-41.9032
Bond Count [?]
All:15
Single:13
Double:2
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:229.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):1.67

Name Annotations

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Descriptor Annotations

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