2-[[acetyl(ethyl)amino]methyl]hexanoic acid

C11H21NO3 — CID 54002372

IUPAC2-[[acetyl(ethyl)amino]methyl]hexanoic acid
SMILESCCCCC(CN(CC)C(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-10(11(14)15)8-12(5-2)9(3)13/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyKMMXAPMONRZLTJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.75
Rot. Bonds7

About 2-[[acetyl(ethyl)amino]methyl]hexanoic acid

2-[[acetyl(ethyl)amino]methyl]hexanoic acid (PubChem CID 54002372) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[[acetyl(ethyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name2-[[acetyl(ethyl)amino]methyl]hexanoic acid
PubChem CID54002372
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[[acetyl(ethyl)amino]methyl]hexanoic acid
SMILESCCCCC(CN(CC)C(C)=O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-6-7-10(11(14)15)8-12(5-2)9(3)13/h10H,4-8H2,1-3H3,(H,14,15)
InChIKeyKMMXAPMONRZLTJ-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(ethyl)amino]methyl]hexanoic acid?
The IUPAC name of 2-[[acetyl(ethyl)amino]methyl]hexanoic acid (CID 54002372) is 2-[[acetyl(ethyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 2-[[acetyl(ethyl)amino]methyl]hexanoic acid?
The canonical SMILES for 2-[[acetyl(ethyl)amino]methyl]hexanoic acid is CCCCC(CN(CC)C(C)=O)C(=O)O.
What is the InChIKey of 2-[[acetyl(ethyl)amino]methyl]hexanoic acid?
The InChIKey is KMMXAPMONRZLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-6-7-10(11(14)15)8-12(5-2)9(3)13/h10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[[acetyl(ethyl)amino]methyl]hexanoic acid?
2-[[acetyl(ethyl)amino]methyl]hexanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(ethyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 54002372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).