3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid

C10H16F3NO3 — CID 82740497

IUPAC3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid
SMILESCC1OCCC1N(C)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6-8(3-4-17-6)14(2)5-7(9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMPHWWZKEKQRKDK-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds4

About 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid (PubChem CID 82740497) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid
PubChem CID82740497
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid
SMILESCC1OCCC1N(C)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6-8(3-4-17-6)14(2)5-7(9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMPHWWZKEKQRKDK-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid (CID 82740497) is 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid is CC1OCCC1N(C)CC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid?
The InChIKey is MPHWWZKEKQRKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6-8(3-4-17-6)14(2)5-7(9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]propanoic acid is sourced from PubChem (CID 82740497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).