Chemical ID: 6642599

CC(C)(C)C(=O)NC(C)(CO)CO
Chemical ID:
6642599
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(C)(CO)CO
InChi [?]:
InChI=1/C9H19NO3/c1-8(2,3)7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,10,12,5,2,8,7,11,13,6/E:(1,2,3)(5,6)(11,12)/rA:13nCCCCCONCCCOCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s8;s10;s8;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.84676
Area:359.772
Solvation:-3.14754
Coulombic:-55.0756
Bond Count [?]
All:12
Single:11
Double:1
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:189.252
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.51
LogP (Chemaxon):0.33

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