2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid

C13H21N3O3 — CID 116684293

IUPAC2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
SMILESCC(C)Cc1noc(CN2CC(C(C)C(=O)O)C2)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)4-11-14-12(19-15-11)7-16-5-10(6-16)9(3)13(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyLKDUDMAKSOAOHV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.42
Rot. Bonds6

About 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684293) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
PubChem CID116684293
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
SMILESCC(C)Cc1noc(CN2CC(C(C)C(=O)O)C2)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)4-11-14-12(19-15-11)7-16-5-10(6-16)9(3)13(17)18/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyLKDUDMAKSOAOHV-UHFFFAOYSA-N
XLogP1.42
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
methyl 2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]acetate
CID 79827344
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116683828
2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684166
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758297
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408
4-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 114426404
(3S,4S)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72869683
N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928186

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid (CID 116684293) is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid is CC(C)Cc1noc(CN2CC(C(C)C(=O)O)C2)n1.
What is the InChIKey of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid?
The InChIKey is LKDUDMAKSOAOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)4-11-14-12(19-15-11)7-16-5-10(6-16)9(3)13(17)18/h8-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid?
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).