(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

C10H11N3O4 — CID 177223417

IUPAC(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)cnn2C[C@H]2COCCN12
InChIInChI=1S/C10H11N3O4/c14-7-3-11-13-4-6-5-17-2-1-12(6)10(16)8(13)9(7)15/h3,6,15H,1-2,4-5H2/t6-/m0/s1
InChIKeyVNNZRKURYSPMKQ-LURJTMIESA-N
MW237.21 g/mol
LogP-1.20
Rot. Bonds

About (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione

(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (PubChem CID 177223417) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
PubChem CID177223417
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
SMILESO=C1c2c(O)c(=O)cnn2C[C@H]2COCCN12
InChIInChI=1S/C10H11N3O4/c14-7-3-11-13-4-6-5-17-2-1-12(6)10(16)8(13)9(7)15/h3,6,15H,1-2,4-5H2/t6-/m0/s1
InChIKeyVNNZRKURYSPMKQ-LURJTMIESA-N
XLogP-1.20
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The IUPAC name of (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione (CID 177223417) is (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione.
What is the SMILES notation for (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The canonical SMILES for (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is O=C1c2c(O)c(=O)cnn2C[C@H]2COCCN12.
What is the InChIKey of (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
The InChIKey is VNNZRKURYSPMKQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O4/c14-7-3-11-13-4-6-5-17-2-1-12(6)10(16)8(13)9(7)15/h3,6,15H,1-2,4-5H2/t6-/m0/s1.
What are the key properties of (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione?
(3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione has a molecular weight of 237.21 g/mol, XLogP of -1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-11-hydroxy-5-oxa-1,8,14-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione is sourced from PubChem (CID 177223417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).