2-(pyrazine-2-carbonylamino)hexanoic acid

C11H15N3O3 — CID 43388148

IUPAC2-(pyrazine-2-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-3-4-8(11(16)17)14-10(15)9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyMAXZEPNQXKOHDX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds6

About 2-(pyrazine-2-carbonylamino)hexanoic acid

2-(pyrazine-2-carbonylamino)hexanoic acid (PubChem CID 43388148) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(pyrazine-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-(pyrazine-2-carbonylamino)hexanoic acid
PubChem CID43388148
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(pyrazine-2-carbonylamino)hexanoic acid
SMILESCCCCC(NC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-2-3-4-8(11(16)17)14-10(15)9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyMAXZEPNQXKOHDX-UHFFFAOYSA-N
XLogP0.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
(2S)-6-amino-2-[[(2S,7S)-8-[[(1S)-5-amino-1-carboxypentyl]amino]-2,7-bis[[(2S)-3-carboxy-2-[[(2S)-3-hydroxy-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]-8-oxooctanoyl]amino]hexanoic acid
CID 10510339
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
CID 162739047
2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid
CID 163868392
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
5,5-dimethyl-2-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 175532859
(2S)-2-[(4-chloropyridine-2-carbonyl)amino]pentanoic acid
CID 107563826

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazine-2-carbonylamino)hexanoic acid?
The IUPAC name of 2-(pyrazine-2-carbonylamino)hexanoic acid (CID 43388148) is 2-(pyrazine-2-carbonylamino)hexanoic acid.
What is the SMILES notation for 2-(pyrazine-2-carbonylamino)hexanoic acid?
The canonical SMILES for 2-(pyrazine-2-carbonylamino)hexanoic acid is CCCCC(NC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of 2-(pyrazine-2-carbonylamino)hexanoic acid?
The InChIKey is MAXZEPNQXKOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-4-8(11(16)17)14-10(15)9-7-12-5-6-13-9/h5-8H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(pyrazine-2-carbonylamino)hexanoic acid?
2-(pyrazine-2-carbonylamino)hexanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazine-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 43388148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).