ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid

C11H25NO3 — CID 142151828

IUPACethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid
SMILESCC.CCC(CN(C)CC)OCC(=O)O
InChIInChI=1S/C9H19NO3.C2H6/c1-4-8(6-10(3)5-2)13-7-9(11)12;1-2/h8H,4-7H2,1-3H3,(H,11,12);1-2H3
InChIKeyXXDIKKPLHQMDRF-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.84
Rot. Bonds7

About ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid

ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid (PubChem CID 142151828) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid.

Molecular Properties

Compound Nameethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid
PubChem CID142151828
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Nameethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid
SMILESCC.CCC(CN(C)CC)OCC(=O)O
InChIInChI=1S/C9H19NO3.C2H6/c1-4-8(6-10(3)5-2)13-7-9(11)12;1-2/h8H,4-7H2,1-3H3,(H,11,12);1-2H3
InChIKeyXXDIKKPLHQMDRF-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid 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 ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid?
The IUPAC name of ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid (CID 142151828) is ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid.
What is the SMILES notation for ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid?
The canonical SMILES for ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid is CC.CCC(CN(C)CC)OCC(=O)O.
What is the InChIKey of ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid?
The InChIKey is XXDIKKPLHQMDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C2H6/c1-4-8(6-10(3)5-2)13-7-9(11)12;1-2/h8H,4-7H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid?
ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid has a molecular weight of 219.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-[ethyl(methyl)amino]butan-2-yloxy]acetic acid is sourced from PubChem (CID 142151828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).