HCID4133026

3-Amino-2-methyl-4-oxo-azetidine-1-sulfonic acid

3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid

C4H8N2O4S180.19 g/molCAS 92007-69-7

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IDENTITY

结构与身份

标准SMILES: CC1C(N)C(=O)N1S(=O)(=O)O
InChIKey: ISUIVWNWEDIHJD-UHFFFAOYSA-N
分子式: C4H8N2O4S
平均分子量: 180.19 g/mol
单同位素质量: 180.02047791

COMPUTED

结构计算性质

已同步

XLogP: -3.6
极性表面积: 109 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 279

ALIASES

名称与别名

共 16 条

3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid3-AMINO-2-METHYL-4-OXO-AZETIDINE-1-SULFONIC ACID95586-88-292007-69-7(2S)-trans-3-Amino-2-methyl-4-oxoazetidine-1-sulphonic acid1-Azetidinesulfonic acid, 3-amino-2-methyl-4-oxo-, (2S,3S)-112026-42-3SCHEMBL7811435DTXSID40399703AB87105SB50693AS-14232DB-017951DB-056407EN300-297380((2S-trans)-3-Amino-2-methyl-4-oxoazetidine-1-sulphonic acid

REACTIONS

参与反应

7 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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