2-(2-hydroxyethylamino)ethanol;propanoic acid

C13H29NO8 — CID 161172891

IUPAC2-(2-hydroxyethylamino)ethanol;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.3C3H6O2/c6-3-1-5-2-4-7;3*1-2-3(4)5/h5-7H,1-4H2;3*2H2,1H3,(H,4,5)
InChIKeyURKPRLOWLUURBJ-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.00
Rot. Bonds7

About 2-(2-hydroxyethylamino)ethanol;propanoic acid

2-(2-hydroxyethylamino)ethanol;propanoic acid (PubChem CID 161172891) has the molecular formula C13H29NO8 and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;propanoic acid
PubChem CID161172891
Molecular FormulaC13H29NO8
Molecular Weight327.37 g/mol
Exact Mass327.19
IUPAC Name2-(2-hydroxyethylamino)ethanol;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.3C3H6O2/c6-3-1-5-2-4-7;3*1-2-3(4)5/h5-7H,1-4H2;3*2H2,1H3,(H,4,5)
InChIKeyURKPRLOWLUURBJ-UHFFFAOYSA-N
XLogP0.00
TPSA164.39 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.37
LogP ≤ 50.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
CID 172719967
CID 172719967
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
2-(2-aminoethylamino)ethanol;butanoic acid
CID 161214236
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;propanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;propanoic acid (CID 161172891) is 2-(2-hydroxyethylamino)ethanol;propanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;propanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;propanoic acid is CCC(=O)O.CCC(=O)O.CCC(=O)O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;propanoic acid?
The InChIKey is URKPRLOWLUURBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.3C3H6O2/c6-3-1-5-2-4-7;3*1-2-3(4)5/h5-7H,1-4H2;3*2H2,1H3,(H,4,5).
What are the key properties of 2-(2-hydroxyethylamino)ethanol;propanoic acid?
2-(2-hydroxyethylamino)ethanol;propanoic acid has a molecular weight of 327.37 g/mol, XLogP of 0.00, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;propanoic acid is sourced from PubChem (CID 161172891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).