2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid

C9H15F3N2O5 — CID 107481876

IUPAC2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O5/c10-9(11,12)6-14(2-3-15)8(18)13-1-4-19-5-7(16)17/h15H,1-6H2,(H,13,18)(H,16,17)
InChIKeyTUORRYVWWVHKQO-UHFFFAOYSA-N
MW288.22 g/mol
LogP-0.35
Rot. Bonds8

About 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid

2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid (PubChem CID 107481876) has the molecular formula C9H15F3N2O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
PubChem CID107481876
Molecular FormulaC9H15F3N2O5
Molecular Weight288.22 g/mol
Exact Mass288.09
IUPAC Name2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O5/c10-9(11,12)6-14(2-3-15)8(18)13-1-4-19-5-7(16)17/h15H,1-6H2,(H,13,18)(H,16,17)
InChIKeyTUORRYVWWVHKQO-UHFFFAOYSA-N
XLogP-0.35
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-0.35
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

2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 107482036
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107482030
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107481926
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 107481947
(2S)-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanedioic acid
CID 107481977
2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 55008818

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid (CID 107481876) is 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid?
The InChIKey is TUORRYVWWVHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O5/c10-9(11,12)6-14(2-3-15)8(18)13-1-4-19-5-7(16)17/h15H,1-6H2,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid?
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid has a molecular weight of 288.22 g/mol, XLogP of -0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 107481876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).