2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid

C11H19NO4 — CID 116681516

IUPAC2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OCC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-7(2)16-6-10(13)12-4-9(5-12)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyCHAPELGPSFYHCL-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.59
Rot. Bonds5

About 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid

2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid (PubChem CID 116681516) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
PubChem CID116681516
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
SMILESCC(C)OCC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-7(2)16-6-10(13)12-4-9(5-12)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKeyCHAPELGPSFYHCL-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 103019290
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate
CID 112697970
1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603948
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
CID 102937838
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
2-[1-(2-phenylsulfanylacetyl)azetidin-3-yl]propanoic acid
CID 116681574

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid (CID 116681516) is 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid is CC(C)OCC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid?
The InChIKey is CHAPELGPSFYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)16-6-10(13)12-4-9(5-12)8(3)11(14)15/h7-9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid?
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).