2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid

C11H23NO3 — CID 114494902

IUPAC2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
SMILESCCC(O)(CC)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-11(15,7-2)8-12(5)10(3,4)9(13)14/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyWOSHJCWROCHQAM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds6

About 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid

2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid (PubChem CID 114494902) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
PubChem CID114494902
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
SMILESCCC(O)(CC)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-11(15,7-2)8-12(5)10(3,4)9(13)14/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyWOSHJCWROCHQAM-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid (CID 114494902) is 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid is CCC(O)(CC)CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is WOSHJCWROCHQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-11(15,7-2)8-12(5)10(3,4)9(13)14/h15H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid?
2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 114494902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).