3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid

C14H15N3O3 — CID 64670341

IUPAC3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O3/c1-14(2,7-12(18)19)17-13(20)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMSNQOVAMSCZLBS-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid

3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid (PubChem CID 64670341) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid
PubChem CID64670341
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C14H15N3O3/c1-14(2,7-12(18)19)17-13(20)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMSNQOVAMSCZLBS-UHFFFAOYSA-N
XLogP1.61
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-(quinoxaline-2-carbonylamino)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-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid (CID 64670341) is 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid is CC(C)(CC(=O)O)NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid?
The InChIKey is MSNQOVAMSCZLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(2,7-12(18)19)17-13(20)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,8H,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid?
3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(quinoxaline-2-carbonylamino)butanoic acid is sourced from PubChem (CID 64670341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).