2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C10H17F3N2O5 — CID 79266737

IUPAC2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCOCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O5/c1-19-4-5-20-3-2-14-9(18)15(6-8(16)17)7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyBJPSWOLGSNQHLL-UHFFFAOYSA-N
MW302.25 g/mol
LogP0.31
Rot. Bonds9

About 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266737) has the molecular formula C10H17F3N2O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266737
Molecular FormulaC10H17F3N2O5
Molecular Weight302.25 g/mol
Exact Mass302.11
IUPAC Name2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCCOCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O5/c1-19-4-5-20-3-2-14-9(18)15(6-8(16)17)7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyBJPSWOLGSNQHLL-UHFFFAOYSA-N
XLogP0.31
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
2-[(4-ethoxy-4-oxobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264664
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
CID 115580140

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266737) is 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is COCCOCCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BJPSWOLGSNQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O5/c1-19-4-5-20-3-2-14-9(18)15(6-8(16)17)7-10(11,12)13/h2-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 302.25 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).