2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H19F3N2O3 — CID 79266291

IUPAC2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)C(C)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)8(3)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWVFCLCYWDKVXIV-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.94
Rot. Bonds6

About 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266291) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266291
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)C(C)CNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-7(2)8(3)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyWVFCLCYWDKVXIV-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[2-ethylhexylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 103995571
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[3-ethylpentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266133
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[(4-methylphenyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263453

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266291) is 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)C(C)CNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WVFCLCYWDKVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-7(2)8(3)4-15-10(19)16(5-9(17)18)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).