2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H16F3NO3 — CID 79258337

IUPAC2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOCCCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-16-5-3-4-13(6-8(14)15)7-9(10,11)12/h2-7H2,1H3,(H,14,15)
InChIKeyVWRUBHVWUOMNOL-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds8

About 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258337) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258337
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOCCCN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-16-5-3-4-13(6-8(14)15)7-9(10,11)12/h2-7H2,1H3,(H,14,15)
InChIKeyVWRUBHVWUOMNOL-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
2-[decyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266101
N-(2-bromoethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107488389
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
3-[3-ethoxypropyl(ethyl)amino]propanoic acid
CID 65180873
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258337) is 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid is CCOCCCN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VWRUBHVWUOMNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-2-16-5-3-4-13(6-8(14)15)7-9(10,11)12/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).