2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C12H21F3N2O3 — CID 79791589

IUPAC2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)N(C(=O)CNC(C)(C(=O)O)C(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2O3/c1-7(2)17(8(3)4)9(18)6-16-11(5,10(19)20)12(13,14)15/h7-8,16H,6H2,1-5H3,(H,19,20)
InChIKeyUZSKXCHQBMIGIV-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.63
Rot. Bonds6

About 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79791589) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79791589
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)N(C(=O)CNC(C)(C(=O)O)C(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2O3/c1-7(2)17(8(3)4)9(18)6-16-11(5,10(19)20)12(13,14)15/h7-8,16H,6H2,1-5H3,(H,19,20)
InChIKeyUZSKXCHQBMIGIV-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid with MolForge

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(propan-2-ylsulfonylamino)propanoic acid
CID 79792170
3,3,3-trifluoro-2-(2-fluoroethylamino)-2-methylpropanoic acid
CID 80695608
3,3,3-trifluoro-2-methyl-2-(3-methylbut-2-enylamino)propanoic acid
CID 79789429
2-(2-ethylsulfonylethylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788947
2-(butylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791166
3,3,3-trifluoro-2-methyl-2-(2-methylpropylsulfonylamino)propanoic acid
CID 79792998
3,3,3-trifluoro-2-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 114495055
3,3,3-trifluoro-2-methyl-2-(4,4,4-trifluorobutylamino)propanoic acid
CID 115514712
3,3,3-trifluoro-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 79792013
2-[(2-amino-3-methylpentanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 113251121
2-[(4-bromophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791391
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 79801337

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79791589) is 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(C)N(C(=O)CNC(C)(C(=O)O)C(F)(F)F)C(C)C.
What is the InChIKey of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is UZSKXCHQBMIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-7(2)17(8(3)4)9(18)6-16-11(5,10(19)20)12(13,14)15/h7-8,16H,6H2,1-5H3,(H,19,20).
What are the key properties of 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 298.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79791589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).