chempirical

Aspartic acid

C4H7NO4CAS 56-84-8133.10 g/mol

Open in Covalent MOL file
NH2OOHOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H7NO4
Molar mass
133.10 g/mol
Exact mass
133.0375 Da
Density
1.661 g/mL (at 12.5 °C)
Melting point
270–271 °C
pKa
1.92 (COOH), 3.87 (COOH), 9.87 (amine)
Water solubility
5.36 g/L (25 °C)
logP
-1.13Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 360 ECHA notifiers. Aggregated from 360 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
56-84-8
SMILES
N[C@@H](CC(=O)O)C(=O)O
InChIKey
CKLJMWTZIZZHCS-REOHCLBHSA-N
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • L-Aspartic acid
  • Aspartic acid, L-
  • L-Aminosuccinic acid
  • Asparagic acid
  • Asparaginic acid
  • Butanedioic acid, amino-, (S)-
  • L-Asparaginic acid
  • (S)-Aspartic acid
  • L-Asparagic acid
  • L-(+)-Aspartic acid
  • (S)-Aminobutanedioic acid
  • (+)-Aspartic acid
  • H-Asp-OH
  • NSC 3973
  • NSC 79553
  • (S)-2-Aminobutanedioic acid
  • (+)-L-Aspartic acid

Work with 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.

D-Aspartic acid1783-96-6Enantiomer (+-)-Aspartic acid617-45-8Stereo not defined Zinc L-aspartate36393-20-1Salt Potassium magnesium hydrogen DL-aspartate8076-65-1Salt, stereo not defined Ornithine aspartate3230-94-2Salt Monopotassium aspartate1115-63-5Salt Arginine aspartate7675-83-4Salt L-Lysine-L-aspartate27348-32-9Salt Monosodium aspartate3792-50-5Salt Calcium L-aspartate21059-46-1Salt Monopotassium DL-aspartate923-09-1Salt, stereo not defined Potassium L-aspartate14007-45-5Salt

Similar compounds

Poly(L-glutamic acid)25513-46-664 % similar Glutamic acid56-86-064 % similar Glutamic acid617-65-264 % similar (-)-Glutamic acid6893-26-164 % similar L-α-Aminoadipic acid1118-90-760 % similar Alpha-aminoadipic acid542-32-560 % similar D-α-Aminoadipic acid7620-28-260 % similar D-Asparagine2058-58-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Iminodiacetic acid142-73-4 Ethyl nitroacetate626-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia