3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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![3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e7e0c99f91554c858698c54065831b74.png "3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid")
3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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CAS No:
1173679-95-2
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Formula:
C13H14N4O4
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Chemical Name:
3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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Synonyms:
ZINC2326170;EiM07-17600;STK716977;AKOS005533746;MCULE-8546060715;N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-beta-alanine;3-({(2S)-2-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]propanoyl}amino)propanoic acid;1173679-95-2
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CAS No:
3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid Basic Attributes
290.27 g/mol
290.10150494 g/mol
Computed Properties
Molecular Weight:290.27
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:290.10150494
Monoisotopic Mass:290.10150494
Topological Polar Surface Area:111
Heavy Atom Count:21
Complexity:465
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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