3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide

C11H10N2O6 — CID 171869003

IUPAC3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C11H10N2O6/c12-9(16)8(15)7(14)4-1-2-6-5(3-4)10(17)19-11(18)13-6/h1-3,7-8,14-15H,(H2,12,16)(H,13,18)
InChIKeyFZYPOPQHCPOAHU-UHFFFAOYSA-N
MW266.21 g/mol
LogP-1.64
Rot. Bonds3

About 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide

3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide (PubChem CID 171869003) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide
PubChem CID171869003
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Name3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc2[nH]c(=O)oc(=O)c2c1
InChIInChI=1S/C11H10N2O6/c12-9(16)8(15)7(14)4-1-2-6-5(3-4)10(17)19-11(18)13-6/h1-3,7-8,14-15H,(H2,12,16)(H,13,18)
InChIKeyFZYPOPQHCPOAHU-UHFFFAOYSA-N
XLogP-1.64
TPSA146.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide (CID 171869003) is 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc2[nH]c(=O)oc(=O)c2c1.
What is the InChIKey of 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide?
The InChIKey is FZYPOPQHCPOAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c12-9(16)8(15)7(14)4-1-2-6-5(3-4)10(17)19-11(18)13-6/h1-3,7-8,14-15H,(H2,12,16)(H,13,18).
What are the key properties of 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide?
3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide has a molecular weight of 266.21 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).