D-Asparagine

C₄H₈N₂O₃CAS 2058-58-4132.12 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₈N₂O₃
Molar mass: 132.12 g/mol
Exact mass: 132.0535 Da
Melting point: 234–235 °C
logP: -0.68Crippen estimate
Polar surface area: 107.4 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

2058-58-4

SMILES

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

InChIKey

DCXYFEDJOCDNAF-UWTATZPHSA-N

InChI

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

Weigh it out

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

Names and synonyms

4 names

Asparagine, D-
(R)-2,4-Diamino-4-oxobutanoic acid
(2R)-4-Amino-2-azaniumyl-4-oxobutanoate
(2R)-2-Amino-3-carbamoylpropanoic acid

Work with D-Asparagine

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.

Asparagine monohydrate5794-13-8Hydrate, enantiomer Dl-asparagine hydrate69833-18-7Hydrate, stereo not defined Asparagine70-47-3Enantiomer DL-Asparagine3130-87-8Stereo not defined

Similar compounds

Glutamine56-85-967 % similar Glutamine585-21-767 % similar D-Glutamine5959-95-567 % similar D-Aspartic acid1783-96-659 % similar Polyaspartic acid25608-40-659 % similar Aspartic acid56-84-859 % similar (+-)-Aspartic acid617-45-859 % similar L-Aspartic acid6899-03-259 % similar

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

Same formula

Ethyl 2-oximinooxamate10489-74-4 1-Methoxy-1-methylamino-2-nitroethylene110763-36-5 Ethyl 2-hydrazinyl-2-oxoacetate35196-48-6 4-Nitromorpholine4164-32-3 Glycine, 1,1′-anhydride4202-74-8 Glycylglycine556-50-3 N-Methyl-N-nitrosourethane615-53-2

Elsewhere

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