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

C₄H₈N₂O₄SCAS 80082-65-1180.18 g/mol

Open in Covalent MOL file

Amide Lactam 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
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

Similar compounds

[(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate150080-09-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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