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

C10H13N3O4 — CID 61007665

IUPAC3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-2-13(4-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyWSXLRTONNZDNGA-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.29
Rot. Bonds5

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

3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (PubChem CID 61007665) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
PubChem CID61007665
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H13N3O4/c1-2-13(4-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyWSXLRTONNZDNGA-UHFFFAOYSA-N
XLogP-0.29
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid (CID 61007665) is 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
The InChIKey is WSXLRTONNZDNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-13(4-3-9(15)16)10(17)7-5-12-8(14)6-11-7/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid?
3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61007665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).