3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid

C11H15N3O3 — CID 62938370

IUPAC3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-7(6-9(15)16)13-10-11(17)14(5-4-12-10)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)(H,15,16)
InChIKeyKRVMXARWZKLJRA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds5

About 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid (PubChem CID 62938370) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
PubChem CID62938370
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-7(6-9(15)16)13-10-11(17)14(5-4-12-10)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)(H,15,16)
InChIKeyKRVMXARWZKLJRA-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid (CID 62938370) is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid is CC(CC(=O)O)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The InChIKey is KRVMXARWZKLJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(6-9(15)16)13-10-11(17)14(5-4-12-10)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 62938370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).