2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid

C21H46N2O4 — CID 6455032

IUPAC2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
SMILESCCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO
InChIInChI=1S/C17H35NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;6-3-1-5-2-4-7/h18H,2-16H2,1H3,(H,19,20);5-7H,1-4H2
InChIKeyDZLADQJYQHRVSM-UHFFFAOYSA-N
MW390.61 g/mol
LogP3.31
Rot. Bonds20

About 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid

2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid (PubChem CID 6455032) has the molecular formula C21H46N2O4 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
PubChem CID6455032
Molecular FormulaC21H46N2O4
Molecular Weight390.61 g/mol
Exact Mass390.35
IUPAC Name2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
SMILESCCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO
InChIInChI=1S/C17H35NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;6-3-1-5-2-4-7/h18H,2-16H2,1H3,(H,19,20);5-7H,1-4H2
InChIKeyDZLADQJYQHRVSM-UHFFFAOYSA-N
XLogP3.31
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 53.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;3-(dodecylamino)propanoic acid
CID 174643455
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
3-(pentylamino)propanoic acid
CID 28830294
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
3-[[5-(2-hydroxyethylamino)pentylamino]methylamino]propanoic acid
CID 18696256
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid (CID 6455032) is 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid is CCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid?
The InChIKey is DZLADQJYQHRVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;6-3-1-5-2-4-7/h18H,2-16H2,1H3,(H,19,20);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid?
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid has a molecular weight of 390.61 g/mol, XLogP of 3.31, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid is sourced from PubChem (CID 6455032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).