3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid

C10H13N3O3 — CID 69411731

IUPAC3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid
SMILESNc1cccc(OCC2CN(C(=O)O)C2)n1
InChIInChI=1S/C10H13N3O3/c11-8-2-1-3-9(12-8)16-6-7-4-13(5-7)10(14)15/h1-3,7H,4-6H2,(H2,11,12)(H,14,15)
InChIKeyBZCCEKMZEQGTSA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.65
Rot. Bonds3

About 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid

3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid (PubChem CID 69411731) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid
PubChem CID69411731
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid
SMILESNc1cccc(OCC2CN(C(=O)O)C2)n1
InChIInChI=1S/C10H13N3O3/c11-8-2-1-3-9(12-8)16-6-7-4-13(5-7)10(14)15/h1-3,7H,4-6H2,(H2,11,12)(H,14,15)
InChIKeyBZCCEKMZEQGTSA-UHFFFAOYSA-N
XLogP0.65
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid (CID 69411731) is 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid is Nc1cccc(OCC2CN(C(=O)O)C2)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid?
The InChIKey is BZCCEKMZEQGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8-2-1-3-9(12-8)16-6-7-4-13(5-7)10(14)15/h1-3,7H,4-6H2,(H2,11,12)(H,14,15).
What are the key properties of 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid?
3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 69411731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).