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

C9H14F3N3O4 — CID 55009804

IUPAC2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H14F3N3O4/c1-2-15(5-9(10,11)12)8(19)14-3-6(16)13-4-7(17)18/h2-5H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUWJZWKQCYNXZPO-UHFFFAOYSA-N
MW285.22 g/mol
LogP-0.22
Rot. Bonds6

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

2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 55009804) has the molecular formula C9H14F3N3O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID55009804
Molecular FormulaC9H14F3N3O4
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Name2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H14F3N3O4/c1-2-15(5-9(10,11)12)8(19)14-3-6(16)13-4-7(17)18/h2-5H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyUWJZWKQCYNXZPO-UHFFFAOYSA-N
XLogP-0.22
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid (CID 55009804) is 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid is CCN(CC(F)(F)F)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is UWJZWKQCYNXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O4/c1-2-15(5-9(10,11)12)8(19)14-3-6(16)13-4-7(17)18/h2-5H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 285.22 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 55009804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).