2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid

C15H14N2O3 — CID 10801972

IUPAC2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid
SMILESO=C(O)Cn1nc2c(cc1=O)CCCc1ccccc1-2
InChIInChI=1S/C15H14N2O3/c18-13-8-11-6-3-5-10-4-1-2-7-12(10)15(11)16-17(13)9-14(19)20/h1-2,4,7-8H,3,5-6,9H2,(H,19,20)
InChIKeyDURFZRHZHCCJLB-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid

2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid (PubChem CID 10801972) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid
PubChem CID10801972
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid
SMILESO=C(O)Cn1nc2c(cc1=O)CCCc1ccccc1-2
InChIInChI=1S/C15H14N2O3/c18-13-8-11-6-3-5-10-4-1-2-7-12(10)15(11)16-17(13)9-14(19)20/h1-2,4,7-8H,3,5-6,9H2,(H,19,20)
InChIKeyDURFZRHZHCCJLB-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid?
The IUPAC name of 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid (CID 10801972) is 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid.
What is the SMILES notation for 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid?
The canonical SMILES for 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid is O=C(O)Cn1nc2c(cc1=O)CCCc1ccccc1-2.
What is the InChIKey of 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid?
The InChIKey is DURFZRHZHCCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-13-8-11-6-3-5-10-4-1-2-7-12(10)15(11)16-17(13)9-14(19)20/h1-2,4,7-8H,3,5-6,9H2,(H,19,20).
What are the key properties of 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid?
2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,6,11,13-pentaen-4-yl)acetic acid is sourced from PubChem (CID 10801972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).