methyl 3-(azetidin-1-ium-1-yl)propanoate

C7H14NO2+ — CID 36691328

IUPACmethyl 3-(azetidin-1-ium-1-yl)propanoate
SMILESCOC(=O)CC[NH+]1CCC1
InChIInChI=1S/C7H13NO2/c1-10-7(9)3-6-8-4-2-5-8/h2-6H2,1H3/p+1
InChIKeyRDELIYPIRSMXOH-UHFFFAOYSA-O
MW144.19 g/mol
LogP-1.16
Rot. Bonds3

About methyl 3-(azetidin-1-ium-1-yl)propanoate

methyl 3-(azetidin-1-ium-1-yl)propanoate (PubChem CID 36691328) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is methyl 3-(azetidin-1-ium-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(azetidin-1-ium-1-yl)propanoate
PubChem CID36691328
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namemethyl 3-(azetidin-1-ium-1-yl)propanoate
SMILESCOC(=O)CC[NH+]1CCC1
InChIInChI=1S/C7H13NO2/c1-10-7(9)3-6-8-4-2-5-8/h2-6H2,1H3/p+1
InChIKeyRDELIYPIRSMXOH-UHFFFAOYSA-O
XLogP-1.16
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(azetidin-1-ium-1-yl)propanoate?
The IUPAC name of methyl 3-(azetidin-1-ium-1-yl)propanoate (CID 36691328) is methyl 3-(azetidin-1-ium-1-yl)propanoate.
What is the SMILES notation for methyl 3-(azetidin-1-ium-1-yl)propanoate?
The canonical SMILES for methyl 3-(azetidin-1-ium-1-yl)propanoate is COC(=O)CC[NH+]1CCC1.
What is the InChIKey of methyl 3-(azetidin-1-ium-1-yl)propanoate?
The InChIKey is RDELIYPIRSMXOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-10-7(9)3-6-8-4-2-5-8/h2-6H2,1H3/p+1.
What are the key properties of methyl 3-(azetidin-1-ium-1-yl)propanoate?
methyl 3-(azetidin-1-ium-1-yl)propanoate has a molecular weight of 144.19 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(azetidin-1-ium-1-yl)propanoate is sourced from PubChem (CID 36691328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).