5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

C8H12F3NO3 — CID 60891554

IUPAC5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C8H12F3NO3/c1-12(5-8(9,10)11)6(13)3-2-4-7(14)15/h2-5H2,1H3,(H,14,15)
InChIKeyOTRJBFLZLJPNCR-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.26
Rot. Bonds5

About 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (PubChem CID 60891554) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
PubChem CID60891554
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCN(CC(F)(F)F)C(=O)CCCC(=O)O
InChIInChI=1S/C8H12F3NO3/c1-12(5-8(9,10)11)6(13)3-2-4-7(14)15/h2-5H2,1H3,(H,14,15)
InChIKeyOTRJBFLZLJPNCR-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 79199158
2-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 13090851
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
5-[hydroxy(methyl)amino]-5-oxopentanoic acid
CID 46224091
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840
chloromethane;pentanedioic acid
CID 159659659
5-amino-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 82012105
4-[methyl-[2-(trifluoromethylsulfanyl)acetyl]amino]butanoic acid
CID 115596389

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (CID 60891554) is 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is CN(CC(F)(F)F)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The InChIKey is OTRJBFLZLJPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-12(5-8(9,10)11)6(13)3-2-4-7(14)15/h2-5H2,1H3,(H,14,15).
What are the key properties of 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid has a molecular weight of 227.18 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60891554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).