2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O3 — CID 103997570

IUPAC2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(CNC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-7(8-2-3-8)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyONULLCBOGHFDIN-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.69
Rot. Bonds6

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

2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 103997570) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID103997570
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(CNC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-7(8-2-3-8)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyONULLCBOGHFDIN-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)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-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 103997570) is 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(CNC(=O)N(CC(=O)O)CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ONULLCBOGHFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7(8-2-3-8)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropylpropylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 103997570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).