methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate

C10H19NO3 — CID 106940433

IUPACmethyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
SMILESCNCC1CC(OCCC(=O)OC)C1
InChIInChI=1S/C10H19NO3/c1-11-7-8-5-9(6-8)14-4-3-10(12)13-2/h8-9,11H,3-7H2,1-2H3
InChIKeyKGRBASNWKCQPOB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate

methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate (PubChem CID 106940433) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
PubChem CID106940433
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
SMILESCNCC1CC(OCCC(=O)OC)C1
InChIInChI=1S/C10H19NO3/c1-11-7-8-5-9(6-8)14-4-3-10(12)13-2/h8-9,11H,3-7H2,1-2H3
InChIKeyKGRBASNWKCQPOB-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663
methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
CID 174153934
1-[3-(2,2-dimethoxyethoxy)cyclobutyl]-N-methylmethanamine
CID 115486785
1-(2-methoxyethoxy)-3-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106991250
1-[3-(methylaminomethyl)cyclobutyl]oxypropan-2-ol
CID 106938597
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-[3-[3-(3-methoxy-3-oxopropoxy)cyclobutyl]oxypropanoylamino]propoxy]propanoic acid
CID 174154840
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
2-methylpropyl 3-[2-[3-[3-(3-methoxy-3-oxopropoxy)cyclobutyl]oxypropanoylamino]-3-[3-(2-methylpropoxy)-3-oxopropoxy]-2-[[3-(2-methylpropoxy)-3-oxopropoxy]methyl]propoxy]propanoate
CID 174154839
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate?
The IUPAC name of methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate (CID 106940433) is methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate.
What is the SMILES notation for methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate?
The canonical SMILES for methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate is CNCC1CC(OCCC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate?
The InChIKey is KGRBASNWKCQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-7-8-5-9(6-8)14-4-3-10(12)13-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate?
methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate is sourced from PubChem (CID 106940433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).