(2S,3S)-3-Amino-2-methyl-4-oxo-1-azetidinesulfonic acid

C₄H₈N₂O₄SCAS 80082-65-1180.18 g/mol

Open in Covalent MOL file

Alcohol Amide Primary Amine

Properties

Molecular formula: C₄H₈N₂O₄S
Molar mass: 180.18 g/mol
Exact mass: 180.0205 Da
Melting point: above 230 °C (decomposes)
logP: -1.65Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

80082-65-1

SMILES

C[C@H]1[C@H](N)C(=O)N1S(=O)(=O)O

InChIKey

ISUIVWNWEDIHJD-HRFVKAFMSA-N

InChI

InChI=1S/C4H8N2O4S/c1-2-3(5)4(7)6(2)11(8,9)10/h2-3H,5H2,1H3,(H,8,9,10)/t2-,3-/m0/s1

Weigh it out

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

Names and synonyms

2 names

1-Azetidinesulfonic acid, 3-amino-2-methyl-4-oxo-, (2S,3S)-
1-Azetidinesulfonic acid, 3-amino-2-methyl-4-oxo-, (2S-trans)-

Work with (2S,3S)-3-Amino-2-methyl-4-oxo-1-azetidinesulfonic 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

Elsewhere

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