3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid

C10H18F3NO3 — CID 63068818

IUPAC3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCN(C(C)COC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-4-14(7(2)6-17-3)8(5-9(15)16)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyKMTWZPQCMICCFC-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.75
Rot. Bonds7

About 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid

3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63068818) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63068818
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid
SMILESCCN(C(C)COC)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-4-14(7(2)6-17-3)8(5-9(15)16)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyKMTWZPQCMICCFC-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
Methyl 4,4,4-trifluoro-3-[methyl(propan-2-yl)amino]butanoate
CID 140629531
(2S)-4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoic acid
CID 150946959
2-Carboxyethyl-dimethyl-[2-(4,4,5,5,5-pentafluoropentanoyloxy)ethyl]azanium
CID 158235629
methyl (3S)-3-[methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]butanoate
CID 169193993
Methyl 4-hydroxy-2-[propyl(3,3,3-trifluoropropyl)amino]butanoate;hydrochloride
CID 174688025
3-[Propan-2-yl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961979
3-[Cyclopropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962276
3-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962277
4-[Propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanoic acid
CID 54962326
3-[Tert-butyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 54962328

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid (CID 63068818) is 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid is CCN(C(C)COC)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is KMTWZPQCMICCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-4-14(7(2)6-17-3)8(5-9(15)16)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid?
3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-methoxypropan-2-yl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63068818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).