2-(methylamino)ethyl butanoate

C7H15NO2 — CID 118193831

IUPAC2-(methylamino)ethyl butanoate
SMILESCCCC(=O)OCCNC
InChIInChI=1S/C7H15NO2/c1-3-4-7(9)10-6-5-8-2/h8H,3-6H2,1-2H3
InChIKeyGPIYRSCRNNBXNA-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About 2-(methylamino)ethyl butanoate

2-(methylamino)ethyl butanoate (PubChem CID 118193831) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(methylamino)ethyl butanoate.

Molecular Properties

Compound Name2-(methylamino)ethyl butanoate
PubChem CID118193831
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(methylamino)ethyl butanoate
SMILESCCCC(=O)OCCNC
InChIInChI=1S/C7H15NO2/c1-3-4-7(9)10-6-5-8-2/h8H,3-6H2,1-2H3
InChIKeyGPIYRSCRNNBXNA-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
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 2-(methylamino)ethyl butanoate?
The IUPAC name of 2-(methylamino)ethyl butanoate (CID 118193831) is 2-(methylamino)ethyl butanoate.
What is the SMILES notation for 2-(methylamino)ethyl butanoate?
The canonical SMILES for 2-(methylamino)ethyl butanoate is CCCC(=O)OCCNC.
What is the InChIKey of 2-(methylamino)ethyl butanoate?
The InChIKey is GPIYRSCRNNBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-7(9)10-6-5-8-2/h8H,3-6H2,1-2H3.
What are the key properties of 2-(methylamino)ethyl butanoate?
2-(methylamino)ethyl butanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl butanoate is sourced from PubChem (CID 118193831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).