3,3-dimethylazetidine-2-carboxylic acid

C6H11NO2 — CID 15388754

IUPAC3,3-dimethylazetidine-2-carboxylic acid
SMILESCC1(C)CNC1C(=O)O
InChIInChI=1S/C6H11NO2/c1-6(2)3-7-4(6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyAWQHNYKQPOONLR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds1

About 3,3-dimethylazetidine-2-carboxylic acid

3,3-dimethylazetidine-2-carboxylic acid (PubChem CID 15388754) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,3-dimethylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethylazetidine-2-carboxylic acid
PubChem CID15388754
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,3-dimethylazetidine-2-carboxylic acid
SMILESCC1(C)CNC1C(=O)O
InChIInChI=1S/C6H11NO2/c1-6(2)3-7-4(6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyAWQHNYKQPOONLR-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazetidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethylazetidine-2-carboxylic acid (CID 15388754) is 3,3-dimethylazetidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethylazetidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethylazetidine-2-carboxylic acid is CC1(C)CNC1C(=O)O.
What is the InChIKey of 3,3-dimethylazetidine-2-carboxylic acid?
The InChIKey is AWQHNYKQPOONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)3-7-4(6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of 3,3-dimethylazetidine-2-carboxylic acid?
3,3-dimethylazetidine-2-carboxylic acid has a molecular weight of 129.16 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazetidine-2-carboxylic acid is sourced from PubChem (CID 15388754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).