ethyl 2-[bis(3-methylbutyl)amino]acetate

C14H29NO2 — CID 17698

IUPACethyl 2-[bis(3-methylbutyl)amino]acetate
SMILESCCOC(=O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H29NO2/c1-6-17-14(16)11-15(9-7-12(2)3)10-8-13(4)5/h12-13H,6-11H2,1-5H3
InChIKeyTXUMSGFXVUDLSH-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.94
Rot. Bonds9

About ethyl 2-[bis(3-methylbutyl)amino]acetate

ethyl 2-[bis(3-methylbutyl)amino]acetate (PubChem CID 17698) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is ethyl 2-[bis(3-methylbutyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(3-methylbutyl)amino]acetate
PubChem CID17698
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameethyl 2-[bis(3-methylbutyl)amino]acetate
SMILESCCOC(=O)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H29NO2/c1-6-17-14(16)11-15(9-7-12(2)3)10-8-13(4)5/h12-13H,6-11H2,1-5H3
InChIKeyTXUMSGFXVUDLSH-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[bis(3-methylbutyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(3-methylbutyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(3-methylbutyl)amino]acetate (CID 17698) is ethyl 2-[bis(3-methylbutyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(3-methylbutyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(3-methylbutyl)amino]acetate is CCOC(=O)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of ethyl 2-[bis(3-methylbutyl)amino]acetate?
The InChIKey is TXUMSGFXVUDLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-17-14(16)11-15(9-7-12(2)3)10-8-13(4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of ethyl 2-[bis(3-methylbutyl)amino]acetate?
ethyl 2-[bis(3-methylbutyl)amino]acetate has a molecular weight of 243.39 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(3-methylbutyl)amino]acetate is sourced from PubChem (CID 17698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).