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

C13H23F3N2O3 — CID 79263920

IUPAC2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O3/c1-4-10(5-2)7-17(6-3)12(21)18(8-11(19)20)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyYFCJTIMUBQWSNN-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.81
Rot. Bonds8

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

2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263920) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263920
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC(CC)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O3/c1-4-10(5-2)7-17(6-3)12(21)18(8-11(19)20)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyYFCJTIMUBQWSNN-UHFFFAOYSA-N
XLogP2.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-[ethyl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437536
2-[[2-cyanopropyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265975
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173
2-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258497
1-ethyl-1-(2-ethylbutyl)-3,3-dimethylurea
CID 115589057
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
N-ethyl-N-(2-ethylbutyl)-2,2,2-trifluoroacetamide
CID 62491296
2-[2-ethylhexylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 103995571
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265653
2-[(2-amino-2-oxoethyl)-[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 107438469

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263920) is 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CCC(CC)CN(CC)C(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YFCJTIMUBQWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-4-10(5-2)7-17(6-3)12(21)18(8-11(19)20)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-ethylbutyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).