3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid

C17H36N2O3 — CID 150216454

IUPAC3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCCCCCNCCN(CCO)CCC(=O)O
InChIInChI=1S/C17H36N2O3/c1-2-3-4-5-6-7-8-9-11-18-12-14-19(15-16-20)13-10-17(21)22/h18,20H,2-16H2,1H3,(H,21,22)
InChIKeyFSORBMDRGUZDEI-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.49
Rot. Bonds17

About 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid

3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 150216454) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
PubChem CID150216454
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC Name3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
SMILESCCCCCCCCCCNCCN(CCO)CCC(=O)O
InChIInChI=1S/C17H36N2O3/c1-2-3-4-5-6-7-8-9-11-18-12-14-19(15-16-20)13-10-17(21)22/h18,20H,2-16H2,1H3,(H,21,22)
InChIKeyFSORBMDRGUZDEI-UHFFFAOYSA-N
XLogP2.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 146586315
CID 146586315
2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
CID 174675948
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
CID 134519108
3-[2-[butyl(2-carboxyethyl)amino]ethylamino]propanoic acid
CID 18730704
N-hexadecyl-3-[2-[2-hydroxyethyl(propyl)amino]ethylamino]propanamide
CID 58105699
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
3-[2-[bis(2-hydroxyethyl)amino]ethylamino]-N-pentadecylpropanamide;3-[2-[2-hydroxyethyl(propyl)amino]ethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide
CID 161095929
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253

Frequently Asked Questions

What is the IUPAC name of 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid (CID 150216454) is 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid is CCCCCCCCCCNCCN(CCO)CCC(=O)O.
What is the InChIKey of 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is FSORBMDRGUZDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3/c1-2-3-4-5-6-7-8-9-11-18-12-14-19(15-16-20)13-10-17(21)22/h18,20H,2-16H2,1H3,(H,21,22).
What are the key properties of 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid?
3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 316.49 g/mol, XLogP of 2.49, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 150216454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).