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

C15H18N2O6 — CID 121422144

IUPACmethyl (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
SMILESCCN1C(=O)c2c(OC)c(=O)c(C(=O)OC)cn2[C@H]2COC[C@H]21
InChIInChI=1S/C15H18N2O6/c1-4-16-9-6-23-7-10(9)17-5-8(15(20)22-3)12(18)13(21-2)11(17)14(16)19/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeySNXDZADVRYUNKQ-ZJUUUORDSA-N
MW322.32 g/mol
LogP0.06
Rot. Bonds3

About 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

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 (PubChem CID 121422144) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID121422144
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Namemethyl (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
SMILESCCN1C(=O)c2c(OC)c(=O)c(C(=O)OC)cn2[C@H]2COC[C@H]21
InChIInChI=1S/C15H18N2O6/c1-4-16-9-6-23-7-10(9)17-5-8(15(20)22-3)12(18)13(21-2)11(17)14(16)19/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeySNXDZADVRYUNKQ-ZJUUUORDSA-N
XLogP0.06
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1C(=O)c2c(OC)c(=O)c(C(=O)OC)cn2[C@H]2COC[C@H]21.
What is the InChIKey of 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?
The InChIKey is SNXDZADVRYUNKQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-4-16-9-6-23-7-10(9)17-5-8(15(20)22-3)12(18)13(21-2)11(17)14(16)19/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 322.32 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121422144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).