(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

C16H20N2O6 — CID 142496585

IUPAC(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
SMILESCOc1c2n(cc(C(=O)O)c1=O)C[C@H]1O[C@@H](C)CC[C@@H](C)N1C2=O
InChIInChI=1S/C16H20N2O6/c1-8-4-5-9(2)24-11-7-17-6-10(16(21)22)13(19)14(23-3)12(17)15(20)18(8)11/h6,8-9,11H,4-5,7H2,1-3H3,(H,21,22)/t8-,9+,11-/m1/s1
InChIKeyHDBSIYMOKCRHQR-WCABBAIRSA-N
MW336.34 g/mol
LogP0.92
Rot. Bonds2

About (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

(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 (PubChem CID 142496585) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142496585
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(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
SMILESCOc1c2n(cc(C(=O)O)c1=O)C[C@H]1O[C@@H](C)CC[C@@H](C)N1C2=O
InChIInChI=1S/C16H20N2O6/c1-8-4-5-9(2)24-11-7-17-6-10(16(21)22)13(19)14(23-3)12(17)15(20)18(8)11/h6,8-9,11H,4-5,7H2,1-3H3,(H,21,22)/t8-,9+,11-/m1/s1
InChIKeyHDBSIYMOKCRHQR-WCABBAIRSA-N
XLogP0.92
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
ethane;(3S,6R)-10-methoxy-6-methyl-12-(3-phenylpropanoyl)-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 160521893
(3S,7R)-11-methoxy-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 148711686
(3R,6S)-N-benzyl-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide;carbanide;rhenium
CID 161432776
(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
(3S,7R)-N-[1-(2,4-difluorophenyl)cyclopropyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 90311813
8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
CID 167146940
magnesium;(3,5-difluorophenyl)methanamine;bis((1R,11S,13S)-N-[(3,5-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide);(1R,11S,13S)-N-[(3,5-difluorophenyl)methyl]-5-methoxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;methane;(1R,11S,13S)-5-methoxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxylic acid;dibromide
CID 158634351
(1R,11S,13S,16R)-5-methoxy-16-methyl-3,6-dioxo-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 130429408
disodium;bis((7R)-13-[(2,4-difluorophenyl)methylcarbamoyl]-7-methyl-9,12-dioxo-4-thia-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-olate);(7R)-N-[(2,4-difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-thia-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide;(7R)-11-methoxy-7-methyl-9,12-dioxo-4-thia-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 157095595

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c2n(cc(C(=O)O)c1=O)C[C@H]1O[C@@H](C)CC[C@@H](C)N1C2=O.
What is the InChIKey of (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?
The InChIKey is HDBSIYMOKCRHQR-WCABBAIRSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-8-4-5-9(2)24-11-7-17-6-10(16(21)22)13(19)14(23-3)12(17)15(20)18(8)11/h6,8-9,11H,4-5,7H2,1-3H3,(H,21,22)/t8-,9+,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 336.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142496585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).