2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid

C11H21NO3 — CID 107140761

IUPAC2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid
SMILESCC(C)CC(C)OC1(CC(=O)O)CNC1
InChIInChI=1S/C11H21NO3/c1-8(2)4-9(3)15-11(5-10(13)14)6-12-7-11/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGSIVJFAVRPZUNJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds6

About 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid

2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid (PubChem CID 107140761) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid
PubChem CID107140761
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid
SMILESCC(C)CC(C)OC1(CC(=O)O)CNC1
InChIInChI=1S/C11H21NO3/c1-8(2)4-9(3)15-11(5-10(13)14)6-12-7-11/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyGSIVJFAVRPZUNJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756
2-(3-propoxyazetidin-3-yl)acetic acid
CID 107140834
2-[3-[2-(2-methoxyethoxy)ethoxy]azetidin-3-yl]acetic acid
CID 107140977
2-(3-propan-2-ylsulfanylazetidin-3-yl)acetic acid
CID 107141118
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-[3-[bis(3-methylbutyl)amino]azetidin-3-yl]acetic acid
CID 107870310
2-(3-but-3-enoxyazetidin-3-yl)acetic acid
CID 107140799
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)acetic acid
CID 115017262
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
CID 107141007
2-[3-[ethyl(2-methylpropyl)amino]azetidin-3-yl]acetic acid
CID 107141511

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid (CID 107140761) is 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid is CC(C)CC(C)OC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid?
The InChIKey is GSIVJFAVRPZUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)4-9(3)15-11(5-10(13)14)6-12-7-11/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid?
2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpentan-2-yloxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).