methyl 4-[2-(methylamino)ethoxy]butanoate

C8H17NO3 — CID 82353174

IUPACmethyl 4-[2-(methylamino)ethoxy]butanoate
SMILESCNCCOCCCC(=O)OC
InChIInChI=1S/C8H17NO3/c1-9-5-7-12-6-3-4-8(10)11-2/h9H,3-7H2,1-2H3
InChIKeyODRCEGUXPLXYLT-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.18
Rot. Bonds7

About methyl 4-[2-(methylamino)ethoxy]butanoate

methyl 4-[2-(methylamino)ethoxy]butanoate (PubChem CID 82353174) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 4-[2-(methylamino)ethoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(methylamino)ethoxy]butanoate
PubChem CID82353174
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 4-[2-(methylamino)ethoxy]butanoate
SMILESCNCCOCCCC(=O)OC
InChIInChI=1S/C8H17NO3/c1-9-5-7-12-6-3-4-8(10)11-2/h9H,3-7H2,1-2H3
InChIKeyODRCEGUXPLXYLT-UHFFFAOYSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate;methyl 4-(methylamino)butanoate
CID 162115968
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
CID 10586756
methyl 4-[2-[2-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 175294176
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470261
methyl 4-heptoxybutanoate
CID 43378175
dimethyl hexanedioate;stannane
CID 173290076
methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
methyl 4-methoxybutanoate
CID 542317
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
methyl 6-propoxyhexanoate
CID 68704998
bis[2-(methylamino)ethyl] hexanedioate;polane
CID 173355362

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(methylamino)ethoxy]butanoate?
The IUPAC name of methyl 4-[2-(methylamino)ethoxy]butanoate (CID 82353174) is methyl 4-[2-(methylamino)ethoxy]butanoate.
What is the SMILES notation for methyl 4-[2-(methylamino)ethoxy]butanoate?
The canonical SMILES for methyl 4-[2-(methylamino)ethoxy]butanoate is CNCCOCCCC(=O)OC.
What is the InChIKey of methyl 4-[2-(methylamino)ethoxy]butanoate?
The InChIKey is ODRCEGUXPLXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-9-5-7-12-6-3-4-8(10)11-2/h9H,3-7H2,1-2H3.
What are the key properties of methyl 4-[2-(methylamino)ethoxy]butanoate?
methyl 4-[2-(methylamino)ethoxy]butanoate has a molecular weight of 175.23 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(methylamino)ethoxy]butanoate is sourced from PubChem (CID 82353174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).