4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid

C11H17F3N2O3 — CID 55009612

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-15(6-2-3-9(17)18)10(19)16(8-4-5-8)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyBFINMYYFPJOCHU-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.93
Rot. Bonds6

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid

4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid (PubChem CID 55009612) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
PubChem CID55009612
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-15(6-2-3-9(17)18)10(19)16(8-4-5-8)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyBFINMYYFPJOCHU-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic 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

4-[Propan-2-yl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 54926281
4-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009758
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009762
3-[Cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009852
4-[Methyl-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010001
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55010141
4-[Propan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]butanoic acid
CID 55175535
4-[Methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 60890839
4-[Propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]butanoic acid
CID 61185923
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61203643
3-[Cyclopropyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 61204773
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid
CID 61606810

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid (CID 55009612) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is BFINMYYFPJOCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-15(6-2-3-9(17)18)10(19)16(8-4-5-8)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid?
4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 55009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).