Chemical ID: 7229269

CCC(C)C(C(=O)NC(C)C(=O)[O-])[NH3+]
Chemical ID:
7229269
Name [?]:
2-(2-azaniumyl-3-methyl-pentanoyl)aminopropanoate
SMILES [?]:
CCC(C)C(C(=O)NC(C)C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C9H18N2O3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,10,2,3,9,5,6,11,14,8,7,12,13/E:(13,14)/rA:14cCCCCCCONCCCOO-N+/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s9;d11;s11;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O3
All Atoms:32
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:-47.7782
Area:383.122
Solvation:-57.3562
Coulombic:-1.58966
Bond Count [?]
All:13
Single:11
Double:2
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.22
LogP (Chemaxon):None

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