3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid

C10H16F3NO3 — CID 55147674

IUPAC3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCOCCN(C1CC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-17-5-4-14(7-2-3-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQNNIOBLZMVJALF-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds7

About 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid

3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 55147674) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID55147674
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCOCCN(C1CC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-17-5-4-14(7-2-3-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyQNNIOBLZMVJALF-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]propanoic acid
CID 134423881
1-[(4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl)-methylamino]cyclopropane-1-carboxylic acid
CID 145202564
3-[Cyclopropyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 54961927
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
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]butanoic acid
CID 55124058
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55146697
3-(5-Ethyl-2-methylmorpholin-4-yl)-4,4,4-trifluorobutanoic acid
CID 55148249
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61490868
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61605044

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid (CID 55147674) is 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is COCCN(C1CC1)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is QNNIOBLZMVJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-17-5-4-14(7-2-3-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid?
3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55147674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).