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

C8H13F3N2O3 — CID 64890077

IUPAC4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCN(CC(F)(F)F)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-13(4-8(9,10)11)7(16)5(12)2-3-6(14)15/h5H,2-4,12H2,1H3,(H,14,15)
InChIKeyYWZXXDSGACJBGN-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.20
Rot. Bonds5

About 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (PubChem CID 64890077) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
PubChem CID64890077
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESCN(CC(F)(F)F)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H13F3N2O3/c1-13(4-8(9,10)11)7(16)5(12)2-3-6(14)15/h5H,2-4,12H2,1H3,(H,14,15)
InChIKeyYWZXXDSGACJBGN-UHFFFAOYSA-N
XLogP0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107568767
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
(2S)-2-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61146828
4-amino-5-[methyl-[2-(methylamino)ethyl]amino]-5-oxopentanoic acid
CID 64889359
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
4-methyl-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanoic acid
CID 82688124
5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 60891554
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
CID 64890889

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (CID 64890077) is 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is CN(CC(F)(F)F)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The InChIKey is YWZXXDSGACJBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-13(4-8(9,10)11)7(16)5(12)2-3-6(14)15/h5H,2-4,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid has a molecular weight of 242.20 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[methyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).