2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H18F3NO5 — CID 106991489

IUPAC2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCOCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO5/c1-18-2-3-19-6-8(15)4-14(5-9(16)17)7-10(11,12)13/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyPXWGEQNMXJUHGY-UHFFFAOYSA-N
MW289.25 g/mol
LogP-0.04
Rot. Bonds10

About 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 106991489) has the molecular formula C10H18F3NO5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID106991489
Molecular FormulaC10H18F3NO5
Molecular Weight289.25 g/mol
Exact Mass289.11
IUPAC Name2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCOCC(O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H18F3NO5/c1-18-2-3-19-6-8(15)4-14(5-9(16)17)7-10(11,12)13/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyPXWGEQNMXJUHGY-UHFFFAOYSA-N
XLogP-0.04
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 106991489) is 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid is COCCOCC(O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is PXWGEQNMXJUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO5/c1-18-2-3-19-6-8(15)4-14(5-9(16)17)7-10(11,12)13/h8,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 289.25 g/mol, XLogP of -0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 106991489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).