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

C17H21N3O7 — CID 155420064

IUPAC[(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOc1c2n(ccc1=O)N[C@@H]1CC(OC3CC3)CCN1C2=O
InChIInChI=1S/C17H21N3O7/c1-24-17(23)26-9-25-15-12(21)5-7-20-14(15)16(22)19-6-4-11(8-13(19)18-20)27-10-2-3-10/h5,7,10-11,13,18H,2-4,6,8-9H2,1H3/t11?,13-/m0/s1
InChIKeyUSSVRZOLSOETSM-YUZLPWPTSA-N
MW379.37 g/mol
LogP0.63
Rot. Bonds5

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

[(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate (PubChem CID 155420064) has the molecular formula C17H21N3O7 and a molecular weight of 379.37 g/mol. Its IUPAC name is [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate.

Molecular Properties

Compound Name[(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
PubChem CID155420064
Molecular FormulaC17H21N3O7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name[(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOc1c2n(ccc1=O)N[C@@H]1CC(OC3CC3)CCN1C2=O
InChIInChI=1S/C17H21N3O7/c1-24-17(23)26-9-25-15-12(21)5-7-20-14(15)16(22)19-6-4-11(8-13(19)18-20)27-10-2-3-10/h5,7,10-11,13,18H,2-4,6,8-9H2,1H3/t11?,13-/m0/s1
InChIKeyUSSVRZOLSOETSM-YUZLPWPTSA-N
XLogP0.63
TPSA108.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate?
The IUPAC name of [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate (CID 155420064) is [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate.
What is the SMILES notation for [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate?
The canonical SMILES for [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate is COC(=O)OCOc1c2n(ccc1=O)N[C@@H]1CC(OC3CC3)CCN1C2=O.
What is the InChIKey of [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate?
The InChIKey is USSVRZOLSOETSM-YUZLPWPTSA-N. The full InChI is InChI=1S/C17H21N3O7/c1-24-17(23)26-9-25-15-12(21)5-7-20-14(15)16(22)19-6-4-11(8-13(19)18-20)27-10-2-3-10/h5,7,10-11,13,18H,2-4,6,8-9H2,1H3/t11?,13-/m0/s1.
What are the key properties of [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate?
[(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate has a molecular weight of 379.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-cyclopropyloxy-9,12-dioxo-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate is sourced from PubChem (CID 155420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).