chempirical

(+-)-Aspartic acid

C4H7NO4CAS 617-45-8133.10 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
1.66 g/mL
Melting point
275 °C
logP
-1.13Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 141 ECHA notifiers. Aggregated from 141 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
617-45-8
SMILES
NC(CC(=O)O)C(=O)O
InChIKey
CKLJMWTZIZZHCS-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

10 names
  • Dl-aspartic acid
  • Aspartic acid
  • Aspartic acid, DL-
  • DL-Aminosuccinic acid
  • (RS)-Aspartic acid
  • (±)-Aspartic acid
  • Aminosuccinic acid
  • NSC 141379
  • 2-Aminobutanedioic acid
  • 2-Azaniumyl-4-hydroxy-4-oxobutanoate

Reactions

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.

Aspartic acid56-84-8Defined stereoisomer Polyaspartic acid25608-40-6Defined stereoisomer L-Aspartic acid6899-03-2Defined stereoisomer D-Aspartic acid1783-96-6Defined stereoisomer Zinc L-aspartate36393-20-1Salt, defined stereoisomer Potassium magnesium hydrogen DL-aspartate8076-65-1Salt Monopotassium aspartate1115-63-5Salt, defined stereoisomer Ornithine aspartate3230-94-2Salt, defined stereoisomer L-Lysine-L-aspartate27348-32-9Salt, defined stereoisomer Monopotassium DL-aspartate923-09-1Salt Potassium L-aspartate14007-45-5Salt, defined stereoisomer Monosodium aspartate3792-50-5Salt, defined stereoisomer

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