1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid

C13H23NO3 — CID 115246585

IUPAC1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO3/c1-14(9-11-3-7-17-8-4-11)10-13(12(15)16)5-2-6-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyUQIRZPVWOCSVDB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246585) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115246585
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(CC1CCOCC1)CC1(C(=O)O)CCC1
InChIInChI=1S/C13H23NO3/c1-14(9-11-3-7-17-8-4-11)10-13(12(15)16)5-2-6-13/h11H,2-10H2,1H3,(H,15,16)
InChIKeyUQIRZPVWOCSVDB-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115246585) is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid is CN(CC1CCOCC1)CC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UQIRZPVWOCSVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14(9-11-3-7-17-8-4-11)10-13(12(15)16)5-2-6-13/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).