3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid

C8H14N2O2 — CID 105434455

IUPAC3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)(N2CCC2)C1
InChIInChI=1S/C8H14N2O2/c1-9-5-8(6-9,7(11)12)10-3-2-4-10/h2-6H2,1H3,(H,11,12)
InChIKeySCUMUSFZOQLMDZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.54
Rot. Bonds2

About 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid

3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid (PubChem CID 105434455) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
PubChem CID105434455
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)(N2CCC2)C1
InChIInChI=1S/C8H14N2O2/c1-9-5-8(6-9,7(11)12)10-3-2-4-10/h2-6H2,1H3,(H,11,12)
InChIKeySCUMUSFZOQLMDZ-UHFFFAOYSA-N
XLogP-0.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
3-(1,3-dihydroisoindol-2-yl)-1-methylazetidine-3-carboxylic acid
CID 105491001
1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65420100
1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid
CID 81468659
1-methyl-4-(4-methylpiperazin-1-yl)azepane-4-carboxylic acid
CID 65420767
3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 84765781
3-(azetidin-1-yl)oxolane-3-carboxylic acid
CID 84765930
3-piperidin-1-yloxetane-3-carboxylic acid
CID 105441554
3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 65419671
3-(4-methylpiperazin-1-yl)-1,1-dioxothiane-3-carboxylic acid
CID 63911066

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid?
The IUPAC name of 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid (CID 105434455) is 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid.
What is the SMILES notation for 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid?
The canonical SMILES for 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid is CN1CC(C(=O)O)(N2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid?
The InChIKey is SCUMUSFZOQLMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-9-5-8(6-9,7(11)12)10-3-2-4-10/h2-6H2,1H3,(H,11,12).
What are the key properties of 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid?
3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 105434455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).