Chemical ID: 6353219

CC(C)CNC(=O)CCCC(=O)O
Chemical ID:
6353219
Name [?]:
5-isobutylamino-5-oxo-pentanoic acid
SMILES [?]:
CC(C)CNC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C9H17NO3/c1-7(2)6-10-8(11)4-3-5-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,9,8,10,4,2,6,11,5,7,12,13/E:(1,2)(12,13)/rA:13nCCCCNCOCCCCOO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.79097
Area:397.051
Solvation:-3.13532
Coulombic:-45.4054
Bond Count [?]
All:12
Single:10
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:187.236
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.52
LogP (Chemaxon):0.62

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Descriptor Annotations

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