1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid

C9H14N2O3 — CID 79311312

IUPAC1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CC2CNC2)C1
InChIInChI=1S/C9H14N2O3/c12-8(1-6-2-10-3-6)11-4-7(5-11)9(13)14/h6-7,10H,1-5H2,(H,13,14)
InChIKeyNUCAWIUKWICJLF-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.86
Rot. Bonds3

About 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid

1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid (PubChem CID 79311312) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid
PubChem CID79311312
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CC2CNC2)C1
InChIInChI=1S/C9H14N2O3/c12-8(1-6-2-10-3-6)11-4-7(5-11)9(13)14/h6-7,10H,1-5H2,(H,13,14)
InChIKeyNUCAWIUKWICJLF-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid (CID 79311312) is 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)CC2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid?
The InChIKey is NUCAWIUKWICJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8(1-6-2-10-3-6)11-4-7(5-11)9(13)14/h6-7,10H,1-5H2,(H,13,14).
What are the key properties of 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid?
1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)acetyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 79311312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).