3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid

C15H27N3O3 — CID 59907829

IUPAC3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid
SMILESCC(C)N1CCC(N2CCCN(CCC(=O)O)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)16-9-4-13(5-10-16)18-8-3-7-17(15(18)21)11-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyXUVXMSJAXJHBOA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid

3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid (PubChem CID 59907829) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid
PubChem CID59907829
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid
SMILESCC(C)N1CCC(N2CCCN(CCC(=O)O)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)16-9-4-13(5-10-16)18-8-3-7-17(15(18)21)11-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyXUVXMSJAXJHBOA-UHFFFAOYSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid?
The IUPAC name of 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid (CID 59907829) is 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid?
The canonical SMILES for 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid is CC(C)N1CCC(N2CCCN(CCC(=O)O)C2=O)CC1.
What is the InChIKey of 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid?
The InChIKey is XUVXMSJAXJHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)16-9-4-13(5-10-16)18-8-3-7-17(15(18)21)11-6-14(19)20/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid?
3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-diazinan-1-yl]propanoic acid is sourced from PubChem (CID 59907829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).