1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid

C11H10N2O6 — CID 162046863

IUPAC1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid
SMILESO=C(O)c1cc2c(c(C(=O)O)c1)NCC(C(=O)O)N2
InChIInChI=1S/C11H10N2O6/c14-9(15)4-1-5(10(16)17)8-6(2-4)13-7(3-12-8)11(18)19/h1-2,7,12-13H,3H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyYXZSTJKXWXDLSB-UHFFFAOYSA-N
MW266.21 g/mol
LogP0.37
Rot. Bonds3

About 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid

1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid (PubChem CID 162046863) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid
PubChem CID162046863
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid
SMILESO=C(O)c1cc2c(c(C(=O)O)c1)NCC(C(=O)O)N2
InChIInChI=1S/C11H10N2O6/c14-9(15)4-1-5(10(16)17)8-6(2-4)13-7(3-12-8)11(18)19/h1-2,7,12-13H,3H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyYXZSTJKXWXDLSB-UHFFFAOYSA-N
XLogP0.37
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid (CID 162046863) is 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid is O=C(O)c1cc2c(c(C(=O)O)c1)NCC(C(=O)O)N2.
What is the InChIKey of 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid?
The InChIKey is YXZSTJKXWXDLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c14-9(15)4-1-5(10(16)17)8-6(2-4)13-7(3-12-8)11(18)19/h1-2,7,12-13H,3H2,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid?
1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid has a molecular weight of 266.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoxaline-2,5,7-tricarboxylic acid is sourced from PubChem (CID 162046863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).