(±)-Homocysteic acid

C4H9NO5SCAS 504-33-6183.18 g/mol

Open in Covalent MOL file
NH2SOOOHOHO
Carboxylic acidPrimary amineSulfonic acid

Properties

Molecular formula
C4H9NO5S
Molar mass
183.18 g/mol
Exact mass
183.0201 Da
Density
1.71 g/mL
Melting point
261–262 °C (decomposes)
logP
-1.32Crippen estimate
Polar surface area
117.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
504-33-6
SMILES
NC(CCS(=O)(=O)O)C(=O)O
InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)

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Names and synonyms

6 names
  • Butanoic acid, 2-amino-4-sulfo-
  • Butyric acid, 2-amino-4-sulfo-, DL-
  • Butanoic acid, 2-amino-4-sulfo-, (±)-
  • 2-Amino-4-sulfobutanoic acid
  • DL-Homocysteic acid
  • Homocysteic acid

Work with (±)-Homocysteic 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

Similar compounds

L-Cysteic acid498-40-868 % similar L-Cysteic acid monohydrate23537-25-962 % similar L-Methionine sulfone7314-32-162 % similar (±)-Methionine sulfone820-10-062 % similar Methionine sulfoximine15985-39-457 % similar Diaminopimelic acid583-93-757 % similar L-2,4-Diaminobutyric acid1758-80-153 % similar Homoserine1927-25-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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