methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate

C13H23NO4 — CID 115248715

IUPACmethyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)CC2CCOCC2)COC1
InChIInChI=1S/C13H23NO4/c1-14(7-11-3-5-17-6-4-11)8-13(9-18-10-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyHDOAMQFDPNRWQQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.53
Rot. Bonds5

About methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate

methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate (PubChem CID 115248715) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate
PubChem CID115248715
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(CN(C)CC2CCOCC2)COC1
InChIInChI=1S/C13H23NO4/c1-14(7-11-3-5-17-6-4-11)8-13(9-18-10-13)12(15)16-2/h11H,3-10H2,1-2H3
InChIKeyHDOAMQFDPNRWQQ-UHFFFAOYSA-N
XLogP0.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate (CID 115248715) is methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate is COC(=O)C1(CN(C)CC2CCOCC2)COC1.
What is the InChIKey of methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate?
The InChIKey is HDOAMQFDPNRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(7-11-3-5-17-6-4-11)8-13(9-18-10-13)12(15)16-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate?
methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxetane-3-carboxylate is sourced from PubChem (CID 115248715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).