(10R,12S,15R)-4-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid

C15H18N2O6 — CID 142496575

IUPAC(10R,12S,15R)-4-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid
SMILESC[C@@H]1CC[C@H](C)O[C@@H]2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C15H18N2O6/c1-7-3-4-8(2)23-10-6-16-5-9(15(21)22)12(18)13(19)11(16)14(20)17(7)10/h5,7-8,10,19H,3-4,6H2,1-2H3,(H,21,22)/t7-,8+,10-/m1/s1
InChIKeyUBKQZTBKAOXHFP-KHQFGBGNSA-N
MW322.32 g/mol
LogP0.62
Rot. Bonds1

About (10R,12S,15R)-4-hydroxy-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-hydroxy-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 142496575) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is (10R,12S,15R)-4-hydroxy-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-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid
PubChem CID142496575
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(10R,12S,15R)-4-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid
SMILESC[C@@H]1CC[C@H](C)O[C@@H]2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C15H18N2O6/c1-7-3-4-8(2)23-10-6-16-5-9(15(21)22)12(18)13(19)11(16)14(20)17(7)10/h5,7-8,10,19H,3-4,6H2,1-2H3,(H,21,22)/t7-,8+,10-/m1/s1
InChIKeyUBKQZTBKAOXHFP-KHQFGBGNSA-N
XLogP0.62
TPSA109.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (10R,12S,15R)-4-hydroxy-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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Frequently Asked Questions

What is the IUPAC name of (10R,12S,15R)-4-hydroxy-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-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid (CID 142496575) is (10R,12S,15R)-4-hydroxy-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-hydroxy-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-hydroxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid is C[C@@H]1CC[C@H](C)O[C@@H]2Cn3cc(C(=O)O)c(=O)c(O)c3C(=O)N12.
What is the InChIKey of (10R,12S,15R)-4-hydroxy-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 UBKQZTBKAOXHFP-KHQFGBGNSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-7-3-4-8(2)23-10-6-16-5-9(15(21)22)12(18)13(19)11(16)14(20)17(7)10/h5,7-8,10,19H,3-4,6H2,1-2H3,(H,21,22)/t7-,8+,10-/m1/s1.
What are the key properties of (10R,12S,15R)-4-hydroxy-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-hydroxy-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 322.32 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,12S,15R)-4-hydroxy-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 142496575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).