2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

C9H13F3N2O5 — CID 55008818

IUPAC2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C9H13F3N2O5/c1-2-14(5-9(10,11)12)8(18)13-6(15)3-19-4-7(16)17/h2-5H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyUDBOLZXNIXPQCN-UHFFFAOYSA-N
MW286.21 g/mol
LogP0.21
Rot. Bonds6

About 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 55008818) has the molecular formula C9H13F3N2O5 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID55008818
Molecular FormulaC9H13F3N2O5
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Name2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C9H13F3N2O5/c1-2-14(5-9(10,11)12)8(18)13-6(15)3-19-4-7(16)17/h2-5H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyUDBOLZXNIXPQCN-UHFFFAOYSA-N
XLogP0.21
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934621
2-[2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 54988828
2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61329439
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[2-(3-ethylpentan-3-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 65041410
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451479
2-[2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61328470
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827131
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (CID 55008818) is 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is CCN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is UDBOLZXNIXPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O5/c1-2-14(5-9(10,11)12)8(18)13-6(15)3-19-4-7(16)17/h2-5H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 286.21 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 55008818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).