Chemical ID: 5846866

CC(C)CCNC(=O)CCC(=O)O
Chemical ID:
5846866
Name [?]:
4-isopentylamino-4-oxo-butanoic acid
SMILES [?]:
CC(C)CCNC(=O)CCC(=O)O
InChi [?]:
InChI=1/C9H17NO3/c1-7(2)5-6-10-8(11)3-4-9(12)13/h7H,3-6H2,1-2H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,4,5,2,7,11,6,8,12,13/E:(1,2)(12,13)/rA:13nCCCCCNCOCCCOO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.41929
Area:395.941
Solvation:-2.47923
Coulombic:-45.8004
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:0.94
LogP (Chemaxon):0.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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