1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid

C13H21NO3 — CID 116874999

IUPAC1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C2(C3(C(=O)O)CCC3)COC2)C1
InChIInChI=1S/C13H21NO3/c1-14-6-3-10(7-14)13(8-17-9-13)12(11(15)16)4-2-5-12/h10H,2-9H2,1H3,(H,15,16)
InChIKeyVVXUSMJIHLVCAU-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.21
Rot. Bonds3

About 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid

1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid (PubChem CID 116874999) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
PubChem CID116874999
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C2(C3(C(=O)O)CCC3)COC2)C1
InChIInChI=1S/C13H21NO3/c1-14-6-3-10(7-14)13(8-17-9-13)12(11(15)16)4-2-5-12/h10H,2-9H2,1H3,(H,15,16)
InChIKeyVVXUSMJIHLVCAU-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
1-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]ethanone
CID 116873792
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944135
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874978
ethane;1-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 91609044
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
CID 116870782
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxetane-3-carboxylic acid
CID 115248496

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid (CID 116874999) is 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid is CN1CCC(C2(C3(C(=O)O)CCC3)COC2)C1.
What is the InChIKey of 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
The InChIKey is VVXUSMJIHLVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14-6-3-10(7-14)13(8-17-9-13)12(11(15)16)4-2-5-12/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid?
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116874999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).