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Chemical ID: 6353219
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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