News
  • Aug 2018: Initiation.
  • March 2019: Added search by name function.
  • July 2019: Updated Gateway user interface.
1. Input structure format

If you upload a file with one of these extensions, this value will be set automatically.

2. Auxiliary options

If the input structure is a 2D structure, you can check this box to get a 3D project of the structure:

If hydrogen atoms are missing from the structure, you can check this box to add hydrogen atoms:

3. Upload or paste input structure

Upload a structure file (one compound per submit):

File

OR Paste a structure (if a file has been uploaded we process the uploaded file)

You can download an example input file.
4. Submit

Or view an example results page.

Search by name
Search by InChI
Hint: You can use '?' to specify unknown chirality.
InChI Most common names Image
InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) N-N-dimethylglycine
N,N-Dimethylglycine
Dmg
N,N-Dimethylaminoacetic acid
2-dimethylaminoacetic acid

Database Records for N-N-dimethylglycine

Standard InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)

Primary compound name: N-N-dimethylglycine expand_more
GISSMO Entries

GISSMO enables the efficient calculation and refinement of spin system matrices (chemical shift and coupling constants) against experimental 1D-1H NMR spectra of small molecules

bmse000241
CAMP Entries

CAMP is a webserver for computational mapping of MS peaks of a given small molecule to all possible fragments of the compound

KO002662 KO002663 KO002664 KO002665 KO002666 PR100178 PR100179 PR100381 PR100382 PR100590
BMOD Entries

Biomolecular Modeling Database (BMOD) is designed to archive and provide force field parameters of small molecules for different molecular modeling software packages.

BMOD0000000213 BMOD0000039727 BMOD0000042429 BMOD0000043078 BMOD0000043167 BMOD0000043942 BMOD0000048777 BMOD0000048941 BMOD0000049319 BMOD0000049834 BMOD0000049852 BMOD0000111976 BMOD0000166381 BMOD0000353697