4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

C7H10F3NO3 — CID 60891370

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCN(CC(F)(F)F)C(=O)CCC(=O)O
InChIInChI=1S/C7H10F3NO3/c1-11(4-7(8,9)10)5(12)2-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyLFJOFOIVXIKCMI-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds4

About 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid

4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (PubChem CID 60891370) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
PubChem CID60891370
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
SMILESCN(CC(F)(F)F)C(=O)CCC(=O)O
InChIInChI=1S/C7H10F3NO3/c1-11(4-7(8,9)10)5(12)2-3-6(13)14/h2-4H2,1H3,(H,13,14)
InChIKeyLFJOFOIVXIKCMI-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylsuccinamic acid
CID 75717
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
2,2-Dimethyl-4-[methyl(trifluoroacetyl)amino]butanoic acid
CID 91716739
4-Oxo-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43396595
4-Oxo-4-(3,3,4,4-tetrafluoro-1-azacyclooct-5-yn-1-yl)butanoic acid
CID 89528395
4-Oxo-4-(3,3,6,6-tetrafluoro-1-azacyclooct-4-yn-1-yl)butanoic acid
CID 89528397
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710
4-Oxo-4-(3,6,6-trifluoro-3-methyl-1-azacyclooct-4-yn-1-yl)butanoic acid
CID 118886411
4-(Dimethylamino)-2,2-difluorobutanoic acid
CID 165632326
4-(3,3,4,4,5,5-Hexafluoropiperidin-1-yl)-4-oxobutanoic acid
CID 176004818

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid (CID 60891370) is 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is CN(CC(F)(F)F)C(=O)CCC(=O)O.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
The InChIKey is LFJOFOIVXIKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-11(4-7(8,9)10)5(12)2-3-6(13)14/h2-4H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid?
4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 60891370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).