3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid

C10H16F3NO4 — CID 103257041

IUPAC3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7(8(15)16)5-14-6-9(17)1-3-18-4-2-9/h7,14,17H,1-6H2,(H,15,16)
InChIKeyGNBNFQHVVWPLAU-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.38
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid (PubChem CID 103257041) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid
PubChem CID103257041
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid
SMILESO=C(O)C(CNCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO4/c11-10(12,13)7(8(15)16)5-14-6-9(17)1-3-18-4-2-9/h7,14,17H,1-6H2,(H,15,16)
InChIKeyGNBNFQHVVWPLAU-UHFFFAOYSA-N
XLogP0.38
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid (CID 103257041) is 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid is O=C(O)C(CNCC1(O)CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid?
The InChIKey is GNBNFQHVVWPLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c11-10(12,13)7(8(15)16)5-14-6-9(17)1-3-18-4-2-9/h7,14,17H,1-6H2,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid has a molecular weight of 271.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 103257041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).