2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid

C14H11N3O5 — CID 23972998

IUPAC2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1cnccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11N3O5/c18-12(8-22-14(21)11-7-15-5-6-16-11)17-10-4-2-1-3-9(10)13(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyHSLHWNZXGATHRQ-UHFFFAOYSA-N
MW301.26 g/mol
LogP0.97
Rot. Bonds5

About 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid

2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid (PubChem CID 23972998) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
PubChem CID23972998
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid
SMILESO=C(COC(=O)c1cnccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H11N3O5/c18-12(8-22-14(21)11-7-15-5-6-16-11)17-10-4-2-1-3-9(10)13(19)20/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyHSLHWNZXGATHRQ-UHFFFAOYSA-N
XLogP0.97
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2355502
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196541
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196552
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7702201
[2-(4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 7985770
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2715388
[2-(4-carbamoylanilino)-2-oxoethyl] pyrazine-2-carboxylate
CID 2119071
[2-[4-(dimethylamino)anilino]-2-oxoethyl] pyrazine-2-carboxylate
CID 5035630
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985794
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] pyrazine-2-carboxylate
CID 7985817
[2-(2-fluoroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088633
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] pyrazine-2-carboxylate
CID 7702335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid (CID 23972998) is 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid is O=C(COC(=O)c1cnccn1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid?
The InChIKey is HSLHWNZXGATHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c18-12(8-22-14(21)11-7-15-5-6-16-11)17-10-4-2-1-3-9(10)13(19)20/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid?
2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid has a molecular weight of 301.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazine-2-carbonyloxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 23972998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).