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

C10H15N3O3 — CID 116683828

IUPAC2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCc1nnc(CN2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C10H15N3O3/c1-6(10(14)15)8-3-13(4-8)5-9-12-11-7(2)16-9/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyDLTPNLADKBKBSD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.53
Rot. Bonds4

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

2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 116683828) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
PubChem CID116683828
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCc1nnc(CN2CC(C(C)C(=O)O)C2)o1
InChIInChI=1S/C10H15N3O3/c1-6(10(14)15)8-3-13(4-8)5-9-12-11-7(2)16-9/h6,8H,3-5H2,1-2H3,(H,14,15)
InChIKeyDLTPNLADKBKBSD-UHFFFAOYSA-N
XLogP0.53
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684166
1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628366
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 131186330
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395525
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684185
N,N-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 38131946
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
CID 103577122
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid (CID 116683828) is 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid is Cc1nnc(CN2CC(C(C)C(=O)O)C2)o1.
What is the InChIKey of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is DLTPNLADKBKBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(10(14)15)8-3-13(4-8)5-9-12-11-7(2)16-9/h6,8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).