6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid

C14H23N3O3 — CID 62938720

IUPAC6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid
SMILESCC(C)Cn1ccnc(NCCCCCC(=O)O)c1=O
InChIInChI=1S/C14H23N3O3/c1-11(2)10-17-9-8-16-13(14(17)20)15-7-5-3-4-6-12(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyYXCDESBSTCJUIY-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.96
Rot. Bonds9

About 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid

6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid (PubChem CID 62938720) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid
PubChem CID62938720
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid
SMILESCC(C)Cn1ccnc(NCCCCCC(=O)O)c1=O
InChIInChI=1S/C14H23N3O3/c1-11(2)10-17-9-8-16-13(14(17)20)15-7-5-3-4-6-12(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyYXCDESBSTCJUIY-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic 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 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid (CID 62938720) is 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid is CC(C)Cn1ccnc(NCCCCCC(=O)O)c1=O.
What is the InChIKey of 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid?
The InChIKey is YXCDESBSTCJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)10-17-9-8-16-13(14(17)20)15-7-5-3-4-6-12(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid?
6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]hexanoic acid is sourced from PubChem (CID 62938720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).