2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid

C11H23NO5 — CID 173031673

IUPAC2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CCCCN(CCO)CCO
InChIInChI=1S/C8H19NO2.C3H4O3/c1-2-3-4-9(5-7-10)6-8-11;1-2(4)3(5)6/h10-11H,2-8H2,1H3;1H3,(H,5,6)
InChIKeyZFJHNNDWZFOEEA-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.27
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid

2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid (PubChem CID 173031673) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid
PubChem CID173031673
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Name2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid
SMILESCC(=O)C(=O)O.CCCCN(CCO)CCO
InChIInChI=1S/C8H19NO2.C3H4O3/c1-2-3-4-9(5-7-10)6-8-11;1-2(4)3(5)6/h10-11H,2-8H2,1H3;1H3,(H,5,6)
InChIKeyZFJHNNDWZFOEEA-UHFFFAOYSA-N
XLogP-0.27
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
(E)-but-2-enoic acid;2-[butyl(2-hydroxyethyl)amino]ethanol
CID 173031505
bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid (CID 173031673) is 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid is CC(=O)C(=O)O.CCCCN(CCO)CCO.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid?
The InChIKey is ZFJHNNDWZFOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C3H4O3/c1-2-3-4-9(5-7-10)6-8-11;1-2(4)3(5)6/h10-11H,2-8H2,1H3;1H3,(H,5,6).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid?
2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid has a molecular weight of 249.31 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-oxopropanoic acid is sourced from PubChem (CID 173031673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).