3-(diethylamino)azetidine-3-carboxylic acid

C8H16N2O2 — CID 105435137

IUPAC3-(diethylamino)azetidine-3-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CNC1
InChIInChI=1S/C8H16N2O2/c1-3-10(4-2)8(7(11)12)5-9-6-8/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyCQEYCABTBLLVNB-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds4

About 3-(diethylamino)azetidine-3-carboxylic acid

3-(diethylamino)azetidine-3-carboxylic acid (PubChem CID 105435137) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(diethylamino)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(diethylamino)azetidine-3-carboxylic acid
PubChem CID105435137
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(diethylamino)azetidine-3-carboxylic acid
SMILESCCN(CC)C1(C(=O)O)CNC1
InChIInChI=1S/C8H16N2O2/c1-3-10(4-2)8(7(11)12)5-9-6-8/h9H,3-6H2,1-2H3,(H,11,12)
InChIKeyCQEYCABTBLLVNB-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)azetidine-3-carboxylic acid?
The IUPAC name of 3-(diethylamino)azetidine-3-carboxylic acid (CID 105435137) is 3-(diethylamino)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(diethylamino)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(diethylamino)azetidine-3-carboxylic acid is CCN(CC)C1(C(=O)O)CNC1.
What is the InChIKey of 3-(diethylamino)azetidine-3-carboxylic acid?
The InChIKey is CQEYCABTBLLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10(4-2)8(7(11)12)5-9-6-8/h9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(diethylamino)azetidine-3-carboxylic acid?
3-(diethylamino)azetidine-3-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)azetidine-3-carboxylic acid is sourced from PubChem (CID 105435137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).