[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate

C17H20N6O4 — CID 174261142

IUPAC[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
SMILESC[C@@H](CO)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C17H20N6O4/c1-10(9-24)17(26)27-13-5-3-2-4-11(13)22-23-12-6-7-14(21-16(12)19)20-15(25)8-18/h2-7,10,24H,8-9,18H2,1H3,(H3,19,20,21,25)/b23-22+/t10-/m0/s1
InChIKeyDHGALNDANGCDSP-PPTIKLOKSA-N
MW372.39 g/mol
LogP1.51
Rot. Bonds7

About [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate

[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate (PubChem CID 174261142) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
PubChem CID174261142
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
SMILESC[C@@H](CO)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C17H20N6O4/c1-10(9-24)17(26)27-13-5-3-2-4-11(13)22-23-12-6-7-14(21-16(12)19)20-15(25)8-18/h2-7,10,24H,8-9,18H2,1H3,(H3,19,20,21,25)/b23-22+/t10-/m0/s1
InChIKeyDHGALNDANGCDSP-PPTIKLOKSA-N
XLogP1.51
TPSA165.28 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate?
The IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate (CID 174261142) is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate is C[C@@H](CO)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N.
What is the InChIKey of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate?
The InChIKey is DHGALNDANGCDSP-PPTIKLOKSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-10(9-24)17(26)27-13-5-3-2-4-11(13)22-23-12-6-7-14(21-16(12)19)20-15(25)8-18/h2-7,10,24H,8-9,18H2,1H3,(H3,19,20,21,25)/b23-22+/t10-/m0/s1.
What are the key properties of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate?
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate has a molecular weight of 372.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 174261142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).