(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

C15H16N2O5 — CID 138599676

IUPAC(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
SMILESCOc1c2n(cc(C(=O)O)c1=O)[C@H]1C[C@@H]3CC3[C@H]1N(C)C2=O
InChIInChI=1S/C15H16N2O5/c1-16-10-7-3-6(7)4-9(10)17-5-8(15(20)21)12(18)13(22-2)11(17)14(16)19/h5-7,9-10H,3-4H2,1-2H3,(H,20,21)/t6-,7?,9-,10+/m0/s1
InChIKeyCWQOYLIGPBUOOU-XRORUYQKSA-N
MW304.30 g/mol
LogP0.59
Rot. Bonds2

About (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

(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 (PubChem CID 138599676) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID138599676
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name(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
SMILESCOc1c2n(cc(C(=O)O)c1=O)[C@H]1C[C@@H]3CC3[C@H]1N(C)C2=O
InChIInChI=1S/C15H16N2O5/c1-16-10-7-3-6(7)4-9(10)17-5-8(15(20)21)12(18)13(22-2)11(17)14(16)19/h5-7,9-10H,3-4H2,1-2H3,(H,20,21)/t6-,7?,9-,10+/m0/s1
InChIKeyCWQOYLIGPBUOOU-XRORUYQKSA-N
XLogP0.59
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxylic acid;(2S,4S,6S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
CID 161247346
(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
(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
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775
8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
CID 167146940
(2S,4S,7R)-11-hydroxy-8-methyl-9,12-dioxo-N-[(2,4,6-trifluoro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxamide
CID 138599677
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
9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
CID 145112117
(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
(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
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c2n(cc(C(=O)O)c1=O)[C@H]1C[C@@H]3CC3[C@H]1N(C)C2=O.
What is the InChIKey of (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?
The InChIKey is CWQOYLIGPBUOOU-XRORUYQKSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-16-10-7-3-6(7)4-9(10)17-5-8(15(20)21)12(18)13(22-2)11(17)14(16)19/h5-7,9-10H,3-4H2,1-2H3,(H,20,21)/t6-,7?,9-,10+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 304.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 138599676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).