methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate

C14H15N3O8 — CID 134318274

IUPACmethyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate
SMILESCOC(=O)COC(=O)Oc1c2n(ccc1=O)N[C@@H]1COCCN1C2=O
InChIInChI=1S/C14H15N3O8/c1-22-10(19)7-24-14(21)25-12-8(18)2-3-17-11(12)13(20)16-4-5-23-6-9(16)15-17/h2-3,9,15H,4-7H2,1H3/t9-/m0/s1
InChIKeyXLSNZZCMEWVPAQ-VIFPVBQESA-N
MW353.29 g/mol
LogP-1.11
Rot. Bonds3

About methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate

methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate (PubChem CID 134318274) has the molecular formula C14H15N3O8 and a molecular weight of 353.29 g/mol. Its IUPAC name is methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate
PubChem CID134318274
Molecular FormulaC14H15N3O8
Molecular Weight353.29 g/mol
Exact Mass353.09
IUPAC Namemethyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate
SMILESCOC(=O)COC(=O)Oc1c2n(ccc1=O)N[C@@H]1COCCN1C2=O
InChIInChI=1S/C14H15N3O8/c1-22-10(19)7-24-14(21)25-12-8(18)2-3-17-11(12)13(20)16-4-5-23-6-9(16)15-17/h2-3,9,15H,4-7H2,1H3/t9-/m0/s1
InChIKeyXLSNZZCMEWVPAQ-VIFPVBQESA-N
XLogP-1.11
TPSA125.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate?
The IUPAC name of methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate (CID 134318274) is methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate.
What is the SMILES notation for methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate?
The canonical SMILES for methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate is COC(=O)COC(=O)Oc1c2n(ccc1=O)N[C@@H]1COCCN1C2=O.
What is the InChIKey of methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate?
The InChIKey is XLSNZZCMEWVPAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O8/c1-22-10(19)7-24-14(21)25-12-8(18)2-3-17-11(12)13(20)16-4-5-23-6-9(16)15-17/h2-3,9,15H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate?
methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate has a molecular weight of 353.29 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxycarbonyloxy]acetate is sourced from PubChem (CID 134318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).