(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid

C13H14N2O6 — CID 122696193

IUPAC(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
SMILESC[C@@H]1CCOC2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N21
InChIInChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8?/m1/s1
InChIKeyKVXRWTBFPVMIGC-XPJFZRNWSA-N
MW294.26 g/mol
LogP-0.16
Rot. Bonds1

About (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid

(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid (PubChem CID 122696193) has the molecular formula C13H14N2O6 and a molecular weight of 294.26 g/mol. Its IUPAC name is (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid.

Molecular Properties

Compound Name(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
PubChem CID122696193
Molecular FormulaC13H14N2O6
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
SMILESC[C@@H]1CCOC2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N21
InChIInChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8?/m1/s1
InChIKeyKVXRWTBFPVMIGC-XPJFZRNWSA-N
XLogP-0.16
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid?
The IUPAC name of (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid (CID 122696193) is (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid.
What is the SMILES notation for (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid?
The canonical SMILES for (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid is C[C@@H]1CCOC2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N21.
What is the InChIKey of (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid?
The InChIKey is KVXRWTBFPVMIGC-XPJFZRNWSA-N. The full InChI is InChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8?/m1/s1.
What are the key properties of (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid?
(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid has a molecular weight of 294.26 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid is sourced from PubChem (CID 122696193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).