1-(2-adamantyl)azetidine-3-carboxylic acid

C14H21NO2 — CID 71025045

IUPAC1-(2-adamantyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C14H21NO2/c16-14(17)12-6-15(7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,16,17)
InChIKeyCGFJWXCVUPOJFP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds2

About 1-(2-adamantyl)azetidine-3-carboxylic acid

1-(2-adamantyl)azetidine-3-carboxylic acid (PubChem CID 71025045) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-adamantyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-adamantyl)azetidine-3-carboxylic acid
PubChem CID71025045
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(2-adamantyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C14H21NO2/c16-14(17)12-6-15(7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,16,17)
InChIKeyCGFJWXCVUPOJFP-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2-adamantyl)azetidine-3-carboxylic acid (CID 71025045) is 1-(2-adamantyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-adamantyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2-adamantyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 1-(2-adamantyl)azetidine-3-carboxylic acid?
The InChIKey is CGFJWXCVUPOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(17)12-6-15(7-12)13-10-2-8-1-9(4-10)5-11(13)3-8/h8-13H,1-7H2,(H,16,17).
What are the key properties of 1-(2-adamantyl)azetidine-3-carboxylic acid?
1-(2-adamantyl)azetidine-3-carboxylic acid has a molecular weight of 235.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 71025045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).