ethyl 2-(methylamino)butanoate

C7H15NO2 — CID 59767891

IUPACethyl 2-(methylamino)butanoate
SMILESCCOC(=O)C(CC)NC
InChIInChI=1S/C7H15NO2/c1-4-6(8-3)7(9)10-5-2/h6,8H,4-5H2,1-3H3
InChIKeyASWJEYHEBZLUCL-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds4

About ethyl 2-(methylamino)butanoate

ethyl 2-(methylamino)butanoate (PubChem CID 59767891) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethyl 2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)butanoate
PubChem CID59767891
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethyl 2-(methylamino)butanoate
SMILESCCOC(=O)C(CC)NC
InChIInChI=1S/C7H15NO2/c1-4-6(8-3)7(9)10-5-2/h6,8H,4-5H2,1-3H3
InChIKeyASWJEYHEBZLUCL-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)butanoate?
The IUPAC name of ethyl 2-(methylamino)butanoate (CID 59767891) is ethyl 2-(methylamino)butanoate.
What is the SMILES notation for ethyl 2-(methylamino)butanoate?
The canonical SMILES for ethyl 2-(methylamino)butanoate is CCOC(=O)C(CC)NC.
What is the InChIKey of ethyl 2-(methylamino)butanoate?
The InChIKey is ASWJEYHEBZLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(8-3)7(9)10-5-2/h6,8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(methylamino)butanoate?
ethyl 2-(methylamino)butanoate has a molecular weight of 145.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)butanoate is sourced from PubChem (CID 59767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).