(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid

C14H16N2O5 — CID 121422051

IUPAC(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid
SMILESCOc1c2n(cc(C(=O)O)c1=O)[C@@H]1CCC[C@H]1N(C)C2=O
InChIInChI=1S/C14H16N2O5/c1-15-8-4-3-5-9(8)16-6-7(14(19)20)11(17)12(21-2)10(16)13(15)18/h6,8-9H,3-5H2,1-2H3,(H,19,20)/t8-,9-/m1/s1
InChIKeyNQYIHEQFSPOQEE-RKDXNWHRSA-N
MW292.29 g/mol
LogP0.73
Rot. Bonds2

About (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid

(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid (PubChem CID 121422051) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid
PubChem CID121422051
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid
SMILESCOc1c2n(cc(C(=O)O)c1=O)[C@@H]1CCC[C@H]1N(C)C2=O
InChIInChI=1S/C14H16N2O5/c1-15-8-4-3-5-9(8)16-6-7(14(19)20)11(17)12(21-2)10(16)13(15)18/h6,8-9H,3-5H2,1-2H3,(H,19,20)/t8-,9-/m1/s1
InChIKeyNQYIHEQFSPOQEE-RKDXNWHRSA-N
XLogP0.73
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid with MolForge

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Related Compounds

(2S,4S,7R)-11-methoxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxylic acid
CID 138599676
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043
(1S,5R,9R)-13-methoxy-9-methyl-11,14-dioxo-6-oxa-10,17-diazatetracyclo[8.7.1.05,18.012,17]octadeca-12,15-diene-15-carboxylic acid
CID 163977804
8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
CID 167146940
(10R,12S,15R)-4-methoxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid
CID 142496585
methyl (2R,6S)-7-ethyl-10-methoxy-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylate
CID 121422144
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074
7-(1-carboxycyclohexyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 19072269
(3S)-9-methoxy-3-methyl-1,8-dioxo-2-[(2R)-pentan-2-yl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90362429
(2S,7S)-11-methoxy-9,12-dioxo-8-propyl-N-[(2,4,6-trifluorophenyl)methyl]-5-oxa-1,8-diazatricyclo[8.4.0.02,7]tetradeca-10,13-diene-13-carboxamide
CID 121422130
9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
CID 145112117

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid?
The IUPAC name of (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid (CID 121422051) is (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid.
What is the SMILES notation for (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid?
The canonical SMILES for (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid is COc1c2n(cc(C(=O)O)c1=O)[C@@H]1CCC[C@H]1N(C)C2=O.
What is the InChIKey of (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid?
The InChIKey is NQYIHEQFSPOQEE-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-15-8-4-3-5-9(8)16-6-7(14(19)20)11(17)12(21-2)10(16)13(15)18/h6,8-9H,3-5H2,1-2H3,(H,19,20)/t8-,9-/m1/s1.
What are the key properties of (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid?
(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid is sourced from PubChem (CID 121422051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).