methyl 3-[cyclobutylmethyl(methyl)amino]butanoate

C11H21NO2 — CID 62861865

IUPACmethyl 3-[cyclobutylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)CC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(7-11(13)14-3)12(2)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCKFXPYKAFPOTBA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds5

About methyl 3-[cyclobutylmethyl(methyl)amino]butanoate

methyl 3-[cyclobutylmethyl(methyl)amino]butanoate (PubChem CID 62861865) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-[cyclobutylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[cyclobutylmethyl(methyl)amino]butanoate
PubChem CID62861865
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-[cyclobutylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CC(C)N(C)CC1CCC1
InChIInChI=1S/C11H21NO2/c1-9(7-11(13)14-3)12(2)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCKFXPYKAFPOTBA-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclobutylmethyl(methyl)amino]butanoate?
The IUPAC name of methyl 3-[cyclobutylmethyl(methyl)amino]butanoate (CID 62861865) is methyl 3-[cyclobutylmethyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 3-[cyclobutylmethyl(methyl)amino]butanoate?
The canonical SMILES for methyl 3-[cyclobutylmethyl(methyl)amino]butanoate is COC(=O)CC(C)N(C)CC1CCC1.
What is the InChIKey of methyl 3-[cyclobutylmethyl(methyl)amino]butanoate?
The InChIKey is CKFXPYKAFPOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(7-11(13)14-3)12(2)8-10-5-4-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-[cyclobutylmethyl(methyl)amino]butanoate?
methyl 3-[cyclobutylmethyl(methyl)amino]butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclobutylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 62861865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).