3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid

C14H13N3O4 — CID 115339246

IUPAC3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C14H13N3O4/c18-12-8-15-11(7-16-12)14(21)17-10-3-1-2-9(6-10)4-5-13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyCSIORRMESUHEHF-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.04
Rot. Bonds5

About 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid

3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339246) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339246
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C14H13N3O4/c18-12-8-15-11(7-16-12)14(21)17-10-3-1-2-9(6-10)4-5-13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyCSIORRMESUHEHF-UHFFFAOYSA-N
XLogP1.04
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339299
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
3-[3-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120538137
3-[3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 120538133
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
3-[3-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 115339180
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 115339330

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid (CID 115339246) is 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)c2c[nH]c(=O)cn2)c1.
What is the InChIKey of 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is CSIORRMESUHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12-8-15-11(7-16-12)14(21)17-10-3-1-2-9(6-10)4-5-13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).