methyl 4-[methyl(pentyl)amino]butanoate

C11H23NO2 — CID 43377761

IUPACmethyl 4-[methyl(pentyl)amino]butanoate
SMILESCCCCCN(C)CCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-9-12(2)10-7-8-11(13)14-3/h4-10H2,1-3H3
InChIKeyUDYNXESOXHWPIX-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.06
Rot. Bonds8

About methyl 4-[methyl(pentyl)amino]butanoate

methyl 4-[methyl(pentyl)amino]butanoate (PubChem CID 43377761) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 4-[methyl(pentyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(pentyl)amino]butanoate
PubChem CID43377761
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 4-[methyl(pentyl)amino]butanoate
SMILESCCCCCN(C)CCCC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-5-6-9-12(2)10-7-8-11(13)14-3/h4-10H2,1-3H3
InChIKeyUDYNXESOXHWPIX-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(pentyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(pentyl)amino]butanoate (CID 43377761) is methyl 4-[methyl(pentyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(pentyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(pentyl)amino]butanoate is CCCCCN(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(pentyl)amino]butanoate?
The InChIKey is UDYNXESOXHWPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-5-6-9-12(2)10-7-8-11(13)14-3/h4-10H2,1-3H3.
What are the key properties of methyl 4-[methyl(pentyl)amino]butanoate?
methyl 4-[methyl(pentyl)amino]butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(pentyl)amino]butanoate is sourced from PubChem (CID 43377761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).