3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid

C11H15N3O4 — CID 54926326

IUPAC3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(2)14(4-3-10(16)17)11(18)8-5-13-9(15)6-12-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyIQNBIWDQWCMFOW-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.10
Rot. Bonds5

About 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid

3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 54926326) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid
PubChem CID54926326
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(2)14(4-3-10(16)17)11(18)8-5-13-9(15)6-12-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyIQNBIWDQWCMFOW-UHFFFAOYSA-N
XLogP0.10
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid (CID 54926326) is 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is IQNBIWDQWCMFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(2)14(4-3-10(16)17)11(18)8-5-13-9(15)6-12-8/h5-7H,3-4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid?
3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 54926326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).