Chemical ID: 6516011

CC(C)CC(C(=O)NCCC(=O)O)N
Chemical ID:
6516011
Name [?]:
3-(2-amino-4-methyl-pentanoyl)aminopropanoic acid
SMILES [?]:
CC(C)CC(C(=O)NCCC(=O)O)N
InChi [?]:
InChI=1/C9H18N2O3/c1-6(2)5-7(10)9(14)11-4-3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,4,2,5,11,6,14,8,12,13,7/E:(1,2)(12,13)/rA:14cCCCCCCONCCCOON/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s11;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.24468
Area:410.057
Solvation:-3.00674
Coulombic:-58.7996
Bond Count [?]
All:13
Single:11
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:202.251
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.11
LogP (Chemaxon):-3.12

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