2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid

C9H17NO3 — CID 83043746

IUPAC2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)(O)C1
InChIInChI=1S/C9H17NO3/c1-3-4-7(8(11)12)10-5-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyJOPIHWHEKGJQQL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.31
Rot. Bonds4

About 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid

2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid (PubChem CID 83043746) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
PubChem CID83043746
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)(O)C1
InChIInChI=1S/C9H17NO3/c1-3-4-7(8(11)12)10-5-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyJOPIHWHEKGJQQL-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid (CID 83043746) is 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid?
The InChIKey is JOPIHWHEKGJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-7(8(11)12)10-5-9(2,13)6-10/h7,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid?
2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid is sourced from PubChem (CID 83043746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).