ethyl 3-methyl-3-(methylamino)butanoate

C8H17NO2 — CID 19088476

IUPACethyl 3-methyl-3-(methylamino)butanoate
SMILESCCOC(=O)CC(C)(C)NC
InChIInChI=1S/C8H17NO2/c1-5-11-7(10)6-8(2,3)9-4/h9H,5-6H2,1-4H3
InChIKeyFDWGVTSFQVTKFB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds4

About ethyl 3-methyl-3-(methylamino)butanoate

ethyl 3-methyl-3-(methylamino)butanoate (PubChem CID 19088476) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 3-methyl-3-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-(methylamino)butanoate
PubChem CID19088476
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 3-methyl-3-(methylamino)butanoate
SMILESCCOC(=O)CC(C)(C)NC
InChIInChI=1S/C8H17NO2/c1-5-11-7(10)6-8(2,3)9-4/h9H,5-6H2,1-4H3
InChIKeyFDWGVTSFQVTKFB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-(methylamino)butanoate?
The IUPAC name of ethyl 3-methyl-3-(methylamino)butanoate (CID 19088476) is ethyl 3-methyl-3-(methylamino)butanoate.
What is the SMILES notation for ethyl 3-methyl-3-(methylamino)butanoate?
The canonical SMILES for ethyl 3-methyl-3-(methylamino)butanoate is CCOC(=O)CC(C)(C)NC.
What is the InChIKey of ethyl 3-methyl-3-(methylamino)butanoate?
The InChIKey is FDWGVTSFQVTKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-11-7(10)6-8(2,3)9-4/h9H,5-6H2,1-4H3.
What are the key properties of ethyl 3-methyl-3-(methylamino)butanoate?
ethyl 3-methyl-3-(methylamino)butanoate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-(methylamino)butanoate is sourced from PubChem (CID 19088476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).