[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid

C15H17BN4O4 — CID 142596570

IUPAC[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
SMILESO=C(CNC(=O)c1cnccn1)NC(Cc1ccccc1)B(O)O
InChIInChI=1S/C15H17BN4O4/c21-14(10-19-15(22)12-9-17-6-7-18-12)20-13(16(23)24)8-11-4-2-1-3-5-11/h1-7,9,13,23-24H,8,10H2,(H,19,22)(H,20,21)
InChIKeyGYAXOSRAYCAFSN-UHFFFAOYSA-N
MW328.14 g/mol
LogP-1.05
Rot. Bonds7

About [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid

[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid (PubChem CID 142596570) has the molecular formula C15H17BN4O4 and a molecular weight of 328.14 g/mol. Its IUPAC name is [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid.

Molecular Properties

Compound Name[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
PubChem CID142596570
Molecular FormulaC15H17BN4O4
Molecular Weight328.14 g/mol
Exact Mass328.13
IUPAC Name[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid
SMILESO=C(CNC(=O)c1cnccn1)NC(Cc1ccccc1)B(O)O
InChIInChI=1S/C15H17BN4O4/c21-14(10-19-15(22)12-9-17-6-7-18-12)20-13(16(23)24)8-11-4-2-1-3-5-11/h1-7,9,13,23-24H,8,10H2,(H,19,22)(H,20,21)
InChIKeyGYAXOSRAYCAFSN-UHFFFAOYSA-N
XLogP-1.05
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
[4-methyl-1-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]pentyl]boronic acid
CID 123996973
[1-[3-[3-(2-cyano-2-pyrazin-2-ylethenyl)phenyl]propanoylamino]-2-phenylethyl]boronic acid
CID 175503896
[(4R)-2-methyl-6-oxo-8-phenyl-7-(pyrazine-2-carbonylamino)octan-4-yl]boronic acid
CID 159714062
[(1R)-2-(4-chlorophenyl)-1-[[2-methyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]ethyl]boronic acid
CID 25262571
[(1R)-2-phenyl-1-[(2-sulfanylacetyl)amino]ethyl]boronic acid
CID 155517666
N-[2-[[(1R)-1-hydroxy-3-methylbutyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 144733404
[3-methyl-4-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 68718388
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
methyl-[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]borinic acid
CID 58700730
[(1R)-1-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
CID 50899661

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid?
The IUPAC name of [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid (CID 142596570) is [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid.
What is the SMILES notation for [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid?
The canonical SMILES for [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid is O=C(CNC(=O)c1cnccn1)NC(Cc1ccccc1)B(O)O.
What is the InChIKey of [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid?
The InChIKey is GYAXOSRAYCAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BN4O4/c21-14(10-19-15(22)12-9-17-6-7-18-12)20-13(16(23)24)8-11-4-2-1-3-5-11/h1-7,9,13,23-24H,8,10H2,(H,19,22)(H,20,21).
What are the key properties of [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid?
[2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid has a molecular weight of 328.14 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-[[2-(pyrazine-2-carbonylamino)acetyl]amino]ethyl]boronic acid is sourced from PubChem (CID 142596570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).