N-Methyl-L-aspartic acid

C5H9NO4CAS 4226-18-0147.13 g/mol

Open in Covalent MOL file
NHOOHOHO
Carboxylic acidSecondary amine

Properties

Molecular formula
C5H9NO4
Molar mass
147.13 g/mol
Exact mass
147.0532 Da
logP
-0.87Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
4226-18-0
SMILES
CN[C@@H](CC(=O)O)C(=O)O
InChIKey
HOKKHZGPKSLGJE-VKHMYHEASA-N
InChI
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N-Methyl-L-aspartic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Methyl-D-aspartic acid6384-92-5Enantiomer

Similar compounds

N-Methyl-L-glutamic acid35989-16-368 % similar Ethylenediamine-N,N'-disuccinic acid20846-91-763 % similar Carbamoyl aspartic acid923-37-558 % similar Boc-D-aspartic acid62396-48-953 % similar 1,2,3,4-Butanetetracarboxylic acid1703-58-852 % similar Propane-1,2,3-tricarboxylic acid99-14-952 % similar (S)-(-)-Methylsuccinic acid2174-58-552 % similar (+)-Methylsuccinic acid3641-51-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-7 Aspartic acid beta-methyl ester2177-62-0 Poly(L-glutamic acid)25513-46-6 Methyliminodiacetic acid4408-64-4 O-Acetylserine5147-00-2 Glutamic acid56-86-0 Glutamic acid617-65-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook