HCID237320

3-Amino-3-(3-nitrophenyl)propanoic acid

C9H10N2O4210.19 g/molCAS 5678-47-7

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IDENTITY

结构与身份

标准SMILES: NC(CC(=O)O)c1cccc([N+](=O)[O-])c1
InChIKey: SJBFILRQMRECCK-UHFFFAOYSA-N
分子式: C9H10N2O4
平均分子量: 210.19 g/mol
单同位素质量: 210.0640568

COMPUTED

结构计算性质

已同步

XLogP: -2.1
极性表面积: 109 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 251

ALIASES

名称与别名

共 40 条

3-amino-3-(3-nitrophenyl)propanoic acid5678-47-73-(3-nitrophenyl)-dl-beta-alanine3-Amino-3-(3-nitrophenyl)propanoicacidMFCD004726123-Amino-3-(3-nitro-phenyl)-propionic acid3-amino-3-(3-nitrophenyl)propionic acidNSC40724R-3-Amino-3-(3-nitro-phenyl)-propionic acidS-3-Amino-3-(3-nitro-phenyl)-propionic acidCBKinase1_000742CBKinase1_013142dl-3-amino-3-(3-nitro-phenyl)-propionic acidOprea1_738037SCHEMBL666885H-L-b-phe(3-NO2)-OHSCHEMBL16293830DTXSID80285156beta-(3-nitrophenyl)-beta-alanine3-(3-Nitrophenyl)-DL- -alanine

REACTIONS

参与反应

11 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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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637532B2

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uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09040560B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06617332B1

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uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05280027

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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