4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid

C13H22N2O3 — CID 19808298

IUPAC4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCC2(CCCN2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(2)8-10(11(16)17)15-7-5-13(12(15)18)4-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyIQHDRIGPDGBASO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid

4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid (PubChem CID 19808298) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid
PubChem CID19808298
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1CCC2(CCCN2)C1=O
InChIInChI=1S/C13H22N2O3/c1-9(2)8-10(11(16)17)15-7-5-13(12(15)18)4-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyIQHDRIGPDGBASO-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid (CID 19808298) is 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid is CC(C)CC(C(=O)O)N1CCC2(CCCN2)C1=O.
What is the InChIKey of 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid?
The InChIKey is IQHDRIGPDGBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)8-10(11(16)17)15-7-5-13(12(15)18)4-3-6-14-13/h9-10,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid?
4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid is sourced from PubChem (CID 19808298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).