2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid

C15H17N3O3 — CID 79814143

IUPAC2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-15(4-2,14(20)21)18-13(19)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWRAPAZQZVKVYAK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.00
Rot. Bonds5

About 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid

2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid (PubChem CID 79814143) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
PubChem CID79814143
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1ccc2nccnc2c1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-15(4-2,14(20)21)18-13(19)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWRAPAZQZVKVYAK-UHFFFAOYSA-N
XLogP2.00
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]quinoxaline-6-carboxamide
CID 114315319
2-(3H-benzimidazole-5-carbonylamino)-2-ethylbutanoic acid
CID 79806287
2-[(4-aminobenzoyl)amino]-2-ethylbutanoic acid
CID 142416078
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
quinoxaline-6-carboxylic acid chloride
CID 86626600
2-[(3-amino-4-bromobenzoyl)amino]-2-ethylbutanoic acid
CID 107813199
2-[(3-acetamidobenzoyl)amino]-2-ethylbutanoic acid
CID 79813329
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
2-[(3-bromo-4-methoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79807070
2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid (CID 79814143) is 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid is CCC(CC)(NC(=O)c1ccc2nccnc2c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
The InChIKey is WRAPAZQZVKVYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-15(4-2,14(20)21)18-13(19)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,3-4H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid?
2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(quinoxaline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 79814143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).