(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
Molecular Identity
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
PubChem CID: 45100489
2D Structure
Properties
C11H16N4O3
Molecular Formula
252.27
Molecular Weight
g/mol
252.1222
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
317
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)O)NCC1=C(C=CC(=C1)N=C(N)N)OIsomeric SMILES
SMILES: C[C@@H](C(=O)O)NCC1=C(C=CC(=C1)N=C(N)N)OSynonyms(1)
GUS
Data from PubChem (NCBI)
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Molecular Structure
(2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
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Drug Network
Trials and conditions connected to (2S)-2-[[5-(diaminomethylideneamino)-2-hydroxyphenyl]methylamino]propanoic acid
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