[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid

C15H19N6O4P — CID 174260701

IUPAC[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
SMILESC[C@H](N)C(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1
InChIInChI=1S/C15H19N6O4P/c1-9(16)15(22)19-13-8-7-11(14(17)18-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-9H,16H2,1-2H3,(H,23,24)(H3,17,18,19,22)/b21-20+/t9-/m0/s1
InChIKeyBSPUZTZUXGWFMX-MUQGCMKUSA-N
MW378.33 g/mol
LogP2.56
Rot. Bonds6

About [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid

[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid (PubChem CID 174260701) has the molecular formula C15H19N6O4P and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
PubChem CID174260701
Molecular FormulaC15H19N6O4P
Molecular Weight378.33 g/mol
Exact Mass378.12
IUPAC Name[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
SMILESC[C@H](N)C(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1
InChIInChI=1S/C15H19N6O4P/c1-9(16)15(22)19-13-8-7-11(14(17)18-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-9H,16H2,1-2H3,(H,23,24)(H3,17,18,19,22)/b21-20+/t9-/m0/s1
InChIKeyBSPUZTZUXGWFMX-MUQGCMKUSA-N
XLogP2.56
TPSA165.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
CID 174260704
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] dihydrogen phosphate
CID 174260835
1-[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]ethyl propan-2-yl carbonate
CID 164908836
2-amino-N-(6-amino-5-phenyldiazenyl-2-pyridinyl)propanamide
CID 75184721
1-[[2-[[2-amino-6-(3-aminopropanoylamino)-3-pyridinyl]diazenyl]phenoxy]-hydroxyphosphoryl]oxyethyl methyl carbonate
CID 164909117
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260521
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate
CID 174265100
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
CID 174261142
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate
CID 174263736
[2-[[2-amino-6-[(2-benzamidoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260658
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-hydroxypropanoate
CID 174263867
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]methyl methyl carbonate
CID 164909193

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The IUPAC name of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid (CID 174260701) is [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid.
What is the SMILES notation for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The canonical SMILES for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid is C[C@H](N)C(=O)Nc1ccc(/N=N/c2ccccc2OP(C)(=O)O)c(N)n1.
What is the InChIKey of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
The InChIKey is BSPUZTZUXGWFMX-MUQGCMKUSA-N. The full InChI is InChI=1S/C15H19N6O4P/c1-9(16)15(22)19-13-8-7-11(14(17)18-13)21-20-10-5-3-4-6-12(10)25-26(2,23)24/h3-9H,16H2,1-2H3,(H,23,24)(H3,17,18,19,22)/b21-20+/t9-/m0/s1.
What are the key properties of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid?
[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid has a molecular weight of 378.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid is sourced from PubChem (CID 174260701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).