2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid

C11H23NO4 — CID 63931982

IUPAC2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
SMILESCCOCC(O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4/c1-4-16-8-10(13)6-12(5-9(2)3)7-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyLEEXZRNATFIYJT-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.43
Rot. Bonds9

About 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid

2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63931982) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63931982
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
SMILESCCOCC(O)CN(CC(=O)O)CC(C)C
InChIInChI=1S/C11H23NO4/c1-4-16-8-10(13)6-12(5-9(2)3)7-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyLEEXZRNATFIYJT-UHFFFAOYSA-N
XLogP0.43
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid (CID 63931982) is 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid is CCOCC(O)CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is LEEXZRNATFIYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-16-8-10(13)6-12(5-9(2)3)7-11(14)15/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63931982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).