3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid

C10H16F3NO3 — CID 103242480

IUPAC3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCCC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(9(15)16)6-14-4-3-7-2-1-5-17-7/h7-8,14H,1-6H2,(H,15,16)
InChIKeyHXSXDNQWPPSRLW-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.41
Rot. Bonds6

About 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid (PubChem CID 103242480) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid
PubChem CID103242480
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCCC1CCCO1)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)8(9(15)16)6-14-4-3-7-2-1-5-17-7/h7-8,14H,1-6H2,(H,15,16)
InChIKeyHXSXDNQWPPSRLW-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-methyl-2-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 79790343
3,3,3-Trifluoro-2-[(oxolan-2-ylmethylamino)methyl]propanoic acid
CID 103234750
3,3,3-Trifluoro-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanoic acid
CID 103238611
3,3,3-Trifluoro-2-[(oxan-2-ylmethylamino)methyl]propanoic acid
CID 103243527
2-[(2-Cyclohexyloxyethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103251676
3,3,3-Trifluoro-2-[[(2-hydroxycyclopentyl)methylamino]methyl]propanoic acid
CID 103255184
3,3,3-Trifluoro-2-[[(2-methyloxolan-3-yl)methylamino]methyl]propanoic acid
CID 105743164
2-[[(2-Ethyloxolan-3-yl)methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 105743291
3,3,3-Trifluoro-2-[[(2-methyloxan-4-yl)amino]methyl]propanoic acid
CID 105757922
3,3,3-Trifluoro-2-[[2-(oxolan-3-yl)ethylamino]methyl]propanoic acid
CID 105942071
3,3,3-Trifluoro-2-[(4-propan-2-yloxybutylamino)methyl]propanoic acid
CID 106004152
3,3,3-Trifluoro-2-[(6-hydroxyhexylamino)methyl]propanoic acid
CID 107853656

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid (CID 103242480) is 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid is O=C(O)C(CNCCC1CCCO1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid?
The InChIKey is HXSXDNQWPPSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)8(9(15)16)6-14-4-3-7-2-1-5-17-7/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]propanoic acid is sourced from PubChem (CID 103242480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).