2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
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![2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5e72b0bb918c4bf1a83804256e45d1c9.png "2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid")
2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
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CAS No:
5219-72-7
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Formula:
C13H13N3O3
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Chemical Name:
2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid
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Synonyms:
SMSF0004700;SBB102166;STL324848;AKOS022132124;ZINC100318750;CB09634;BIM-0014127.P001;AH-262/36336009;SR-01000199155;SR-01000199155-1;N-[3-(Benzylamino)-2-cyano-3-oxo-1-propen-1-yl]glycine;{[3-(benzylamino)-2-cyano-3-oxo-1-propenyl]amino}acetic acid;2-({(1E)-2-cyano-2-[N-benzylcarbamoyl]vinyl}amino)acetic acid;N-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]glycine;5219-72-7
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CAS No:
2-[[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]acetic acid Basic Attributes
259.26 g/mol
259.09569129 g/mol
Computed Properties
Molecular Weight:259.26
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:259.09569129
Monoisotopic Mass:259.09569129
Topological Polar Surface Area:102
Heavy Atom Count:19
Complexity:403
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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