chempirical

Aceturic acid

C4H7NO3CAS 543-24-8117.10 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acid

Properties

Molecular formula
C4H7NO3
Molar mass
117.10 g/mol
Exact mass
117.0426 Da
Melting point
206 °C
logP
0.05Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
543-24-8
SMILES
CC(O)=NCC(=O)O
InChIKey
OKJIRPAQVSHGFK-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

11 names
  • Glycine, N-acetyl-
  • N-Acetylglycine
  • Acetamidoacetic acid
  • Acetylaminoacetic acid
  • Acetylglycine
  • Acetylglycocoll
  • Ethanoylaminoethanoic acid
  • 2-Acetamidoacetic acid
  • 2-(Acetylamino)acetic acid
  • NSC 7605
  • 86: PN: WO2006125227 FIGURE: 1 claimed protein

Reactions

Work with Aceturic 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.

Berenil908-54-3Salt

Similar compounds

N-Acetyl-beta-alanine3025-95-463 % similar 4-Acetamidobutyric acid3025-96-559 % similar 6-Acetylaminocaproic acid57-08-955 % similar 3-((Acetamidomethyl)thio)propanoic acid52574-08-053 % similar Ethyl acetamidoacetate1906-82-750 % similar N-Acetylglycinamide2620-63-550 % similar N,N'-Diacetylethylenediamine871-78-350 % similar Isovalerylglycine16284-60-947 % similar

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

Same formula

N-Formylalanine10512-86-4 3-Aminooxetane-3-carboxylic acid138650-24-5 Ethyl oxamate617-36-7 Succinamic acid638-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia