2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid

C8H14N2O4 — CID 126643615

IUPAC2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid
SMILESCN(C)C(=O)OCC1CCN1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-9(2)8(13)14-5-6-3-4-10(6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyHHBDRVVAGKNDGU-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.44
Rot. Bonds2

About 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid

2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid (PubChem CID 126643615) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid
PubChem CID126643615
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid
SMILESCN(C)C(=O)OCC1CCN1C(=O)O
InChIInChI=1S/C8H14N2O4/c1-9(2)8(13)14-5-6-3-4-10(6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyHHBDRVVAGKNDGU-UHFFFAOYSA-N
XLogP0.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The IUPAC name of 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid (CID 126643615) is 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid is CN(C)C(=O)OCC1CCN1C(=O)O.
What is the InChIKey of 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
The InChIKey is HHBDRVVAGKNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-9(2)8(13)14-5-6-3-4-10(6)7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid?
2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyloxymethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 126643615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).