2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid

C12H19N3O3 — CID 62940117

IUPAC2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccn(C(C)C)c1=O)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(12(17)18)14-10-11(16)15(8(2)3)7-6-13-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,17,18)
InChIKeyDNIMRXLETWKJKP-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.49
Rot. Bonds6

About 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid

2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid (PubChem CID 62940117) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid
PubChem CID62940117
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccn(C(C)C)c1=O)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(12(17)18)14-10-11(16)15(8(2)3)7-6-13-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,17,18)
InChIKeyDNIMRXLETWKJKP-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid (CID 62940117) is 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid is CCCC(Nc1nccn(C(C)C)c1=O)C(=O)O.
What is the InChIKey of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid?
The InChIKey is DNIMRXLETWKJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-9(12(17)18)14-10-11(16)15(8(2)3)7-6-13-10/h6-9H,4-5H2,1-3H3,(H,13,14)(H,17,18).
What are the key properties of 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid?
2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 62940117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).