3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid

C10H16F3NO4 — CID 103266374

IUPAC3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid
SMILESCOC1(CNCC(C(=O)O)C(F)(F)F)CCOC1
InChIInChI=1S/C10H16F3NO4/c1-17-9(2-3-18-6-9)5-14-4-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyALDWFLNHMIRRIB-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.64
Rot. Bonds6

About 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid (PubChem CID 103266374) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid
PubChem CID103266374
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid
SMILESCOC1(CNCC(C(=O)O)C(F)(F)F)CCOC1
InChIInChI=1S/C10H16F3NO4/c1-17-9(2-3-18-6-9)5-14-4-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16)
InChIKeyALDWFLNHMIRRIB-UHFFFAOYSA-N
XLogP0.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid (CID 103266374) is 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid is COC1(CNCC(C(=O)O)C(F)(F)F)CCOC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid?
The InChIKey is ALDWFLNHMIRRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-17-9(2-3-18-6-9)5-14-4-7(8(15)16)10(11,12)13/h7,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 103266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).