3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid

C11H14N2O3 — CID 91811787

IUPAC3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
SMILESO=C(O)CCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C11H14N2O3/c14-10-7-8-3-1-2-4-9(8)12-13(10)6-5-11(15)16/h7H,1-6H2,(H,15,16)
InChIKeyZAVRGNZXIFUULI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.60
Rot. Bonds3

About 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid

3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid (PubChem CID 91811787) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
PubChem CID91811787
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid
SMILESO=C(O)CCn1nc2c(cc1=O)CCCC2
InChIInChI=1S/C11H14N2O3/c14-10-7-8-3-1-2-4-9(8)12-13(10)6-5-11(15)16/h7H,1-6H2,(H,15,16)
InChIKeyZAVRGNZXIFUULI-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid (CID 91811787) is 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid is O=C(O)CCn1nc2c(cc1=O)CCCC2.
What is the InChIKey of 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid?
The InChIKey is ZAVRGNZXIFUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-7-8-3-1-2-4-9(8)12-13(10)6-5-11(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid?
3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)propanoic acid is sourced from PubChem (CID 91811787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).