2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid

C10H23NO5 — CID 13094119

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid
SMILESCCCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H8O2/c8-4-1-7(2-5-9)3-6-10;1-2-3-4(5)6/h8-10H,1-6H2;2-3H2,1H3,(H,5,6)
InChIKeySWGVZJYLIGBOQC-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.86
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid

2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid (PubChem CID 13094119) has the molecular formula C10H23NO5 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid
PubChem CID13094119
Molecular FormulaC10H23NO5
Molecular Weight237.30 g/mol
Exact Mass237.16
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid
SMILESCCCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H8O2/c8-4-1-7(2-5-9)3-6-10;1-2-3-4(5)6/h8-10H,1-6H2;2-3H2,1H3,(H,5,6)
InChIKeySWGVZJYLIGBOQC-UHFFFAOYSA-N
XLogP-0.86
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
butanoic acid;3-hydroxypropanoic acid
CID 87339228
bis(2-(diethylamino)ethanol);hexanedioic acid
CID 22571154
butane-1,4-diol;butanoic acid
CID 86642179
butane;3-hydroxypropanoic acid
CID 87992662
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;dihydrochloride
CID 173423767

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid (CID 13094119) is 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid is CCCC(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid?
The InChIKey is SWGVZJYLIGBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C4H8O2/c8-4-1-7(2-5-9)3-6-10;1-2-3-4(5)6/h8-10H,1-6H2;2-3H2,1H3,(H,5,6).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid has a molecular weight of 237.30 g/mol, XLogP of -0.86, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid is sourced from PubChem (CID 13094119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).