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

C13H21N3O3 — CID 116684185

IUPAC2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C13H21N3O3/c1-8(11(17)18)9-5-16(6-9)7-10-14-12(15-19-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyPKHNQBSLECSYHS-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.52
Rot. Bonds4

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

2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116684185) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116684185
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C13H21N3O3/c1-8(11(17)18)9-5-16(6-9)7-10-14-12(15-19-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyPKHNQBSLECSYHS-UHFFFAOYSA-N
XLogP1.52
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid with MolForge

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Related Compounds

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576788
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
(3S,4R)-4-benzyl-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 136586170
methyl 4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-2-carboxylate
CID 78926318
azepan-1-yl-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56825800
methyl (3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79037760
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid (CID 116684185) is 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(Cc2nc(C(C)(C)C)no2)C1.
What is the InChIKey of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is PKHNQBSLECSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(11(17)18)9-5-16(6-9)7-10-14-12(15-19-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).