1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

C13H17N3O3 — CID 117031177

IUPAC1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCC(C)(CN)N1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H17N3O3/c1-13(2,7-14)16-6-11(17)15-9-5-8(12(18)19)3-4-10(9)16/h3-5H,6-7,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIITURFFWJYVTCE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.88
Rot. Bonds3

About 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (PubChem CID 117031177) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
PubChem CID117031177
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESCC(C)(CN)N1CC(=O)Nc2cc(C(=O)O)ccc21
InChIInChI=1S/C13H17N3O3/c1-13(2,7-14)16-6-11(17)15-9-5-8(12(18)19)3-4-10(9)16/h3-5H,6-7,14H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIITURFFWJYVTCE-UHFFFAOYSA-N
XLogP0.88
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (CID 117031177) is 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is CC(C)(CN)N1CC(=O)Nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is IITURFFWJYVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,7-14)16-6-11(17)15-9-5-8(12(18)19)3-4-10(9)16/h3-5H,6-7,14H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 117031177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).