N-Methyl-L-glutamic acid
PubChem CID: 439377
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| Compound Synonyms | N-Methyl-L-glutamic acid, 6753-62-4, (S)-2-(methylamino)pentanedioic acid, N-Methylglutamic acid, Methyl glutamic acid, N-Methyl-L-glutamate, (2S)-2-(methylamino)pentanedioic acid, N-methylglutamate, 128724-80-1, L-Glutamic acid, N-methyl-, 557ZPU13HK, Glutamic acid, N-methyl-, L-, N-Me-Glu-OH, Glutamic acid, N-methyl-, NSC-109187, N-Methyl-L-glutamic Acid, (2S)-2-(Methylamino)pentanedioic Acid, N-Methylglutamic Acid, , MFCD00065920, n-methyl-d-glutamate, methyl-l-glutamic acid, N-Mathyl-L-glutamic acid, C01046, UNII-557ZPU13HK, SCHEMBL162038, CHEBI:16440, XLBVNMSMFQMKEY-BYPYZUCNSA-N, DTXSID101035891, (2S)-2-(methylamino)pentanedioate, (S)-2-(methylamino)pentanedioicacid, MSK170152, AKOS006272673, FM43099, NSC 109187, BS-24762, 1ST170152, CS-0208028, NS00074241, F15110, N-alpha-Methyl-L-glutamic acid (Me-L-Glu-OH), Q15298280, F64E24AA-8209-446F-8734-94A27A9011B3 |
|---|---|
| Topological Polar Surface Area | 86.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(methylamino)pentanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -3.0 |
| Molecular Formula | C6H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLBVNMSMFQMKEY-BYPYZUCNSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.382 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.256 |
| Compound Name | N-Methyl-L-glutamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 161.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3808266000000005 |
| Inchi | InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
| Smiles | CN[C@@H](CCC(=O)O)C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients