2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid

C17H22N2O4 — CID 167989916

IUPAC2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
SMILESCc1ccn(CC(=O)N2CC3(CCC3)CC2CC(=O)O)c(=O)c1
InChIInChI=1S/C17H22N2O4/c1-12-3-6-18(14(20)7-12)10-15(21)19-11-17(4-2-5-17)9-13(19)8-16(22)23/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,22,23)
InChIKeyJOYWFLFRFCIROT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.40
Rot. Bonds4

About 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid

2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid (PubChem CID 167989916) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
PubChem CID167989916
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
SMILESCc1ccn(CC(=O)N2CC3(CCC3)CC2CC(=O)O)c(=O)c1
InChIInChI=1S/C17H22N2O4/c1-12-3-6-18(14(20)7-12)10-15(21)19-11-17(4-2-5-17)9-13(19)8-16(22)23/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,22,23)
InChIKeyJOYWFLFRFCIROT-UHFFFAOYSA-N
XLogP1.40
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The IUPAC name of 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid (CID 167989916) is 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid.
What is the SMILES notation for 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The canonical SMILES for 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid is Cc1ccn(CC(=O)N2CC3(CCC3)CC2CC(=O)O)c(=O)c1.
What is the InChIKey of 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
The InChIKey is JOYWFLFRFCIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-3-6-18(14(20)7-12)10-15(21)19-11-17(4-2-5-17)9-13(19)8-16(22)23/h3,6-7,13H,2,4-5,8-11H2,1H3,(H,22,23).
What are the key properties of 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid?
2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid has a molecular weight of 318.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-7-yl]acetic acid is sourced from PubChem (CID 167989916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).