D-Aspartic acid

C₄H₇NO₄CAS 1783-96-6133.10 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₇NO₄
Molar mass: 133.10 g/mol
Exact mass: 133.0375 Da
Melting point: 251 °C
logP: -1.13Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1783-96-6

SMILES

N[C@H](CC(=O)O)C(=O)O

InChIKey

CKLJMWTZIZZHCS-UWTATZPHSA-N

InChI

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

Weigh it out

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

Names and synonyms

7 names

Aspartic acid, D-
(-)-Aspartic acid
D-(-)-Aspartic acid
(R)-Aspartic acid
NSC 97922
(2R)-2-Aminobutanedioic acid
(R)-2-Aminosuccinic acid

Work with D-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 acid56-84-8Enantiomer Polyaspartic acid25608-40-6Enantiomer L-Aspartic acid6899-03-2Enantiomer (+-)-Aspartic acid617-45-8Stereo not defined Zinc L-aspartate36393-20-1Salt, enantiomer Potassium magnesium hydrogen DL-aspartate8076-65-1Salt, stereo not defined Ornithine aspartate3230-94-2Salt, enantiomer Monopotassium aspartate1115-63-5Salt, enantiomer Arginine aspartate7675-83-4Salt, enantiomer L-Lysine-L-aspartate27348-32-9Salt, enantiomer Monosodium aspartate3792-50-5Salt, enantiomer Calcium L-aspartate21059-46-1Salt, enantiomer

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