2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid

C9H15NO4 — CID 102657159

IUPAC2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid
SMILESCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-3-7(11)10-5-9(2,6-10)14-4-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyMDIUGYJPLXXBFK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds4

About 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid

2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid (PubChem CID 102657159) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid
PubChem CID102657159
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid
SMILESCCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-3-7(11)10-5-9(2,6-10)14-4-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyMDIUGYJPLXXBFK-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid (CID 102657159) is 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid is CCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid?
The InChIKey is MDIUGYJPLXXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-7(11)10-5-9(2,6-10)14-4-8(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid?
2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-propanoylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102657159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).