2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid

C7H9N3O3 — CID 167716215

IUPAC2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid
SMILESNC1CN(c2ncc(C(=O)O)o2)C1
InChIInChI=1S/C7H9N3O3/c8-4-2-10(3-4)7-9-1-5(13-7)6(11)12/h1,4H,2-3,8H2,(H,11,12)
InChIKeyGFZGPVXLJSTKMP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.48
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid

2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 167716215) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID167716215
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid
SMILESNC1CN(c2ncc(C(=O)O)o2)C1
InChIInChI=1S/C7H9N3O3/c8-4-2-10(3-4)7-9-1-5(13-7)6(11)12/h1,4H,2-3,8H2,(H,11,12)
InChIKeyGFZGPVXLJSTKMP-UHFFFAOYSA-N
XLogP-0.48
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid (CID 167716215) is 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid is NC1CN(c2ncc(C(=O)O)o2)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is GFZGPVXLJSTKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-4-2-10(3-4)7-9-1-5(13-7)6(11)12/h1,4H,2-3,8H2,(H,11,12).
What are the key properties of 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid?
2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 167716215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).