2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid

C6H8F3NO4 — CID 66165207

IUPAC2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid
SMILESO=C(CC(F)(F)F)NCC(O)C(=O)O
InChIInChI=1S/C6H8F3NO4/c7-6(8,9)1-4(12)10-2-3(11)5(13)14/h3,11H,1-2H2,(H,10,12)(H,13,14)
InChIKeyOHSVPEQXMGECQW-UHFFFAOYSA-N
MW215.13 g/mol
LogP-0.50
Rot. Bonds4

About 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid

2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid (PubChem CID 66165207) has the molecular formula C6H8F3NO4 and a molecular weight of 215.13 g/mol. Its IUPAC name is 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid
PubChem CID66165207
Molecular FormulaC6H8F3NO4
Molecular Weight215.13 g/mol
Exact Mass215.04
IUPAC Name2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid
SMILESO=C(CC(F)(F)F)NCC(O)C(=O)O
InChIInChI=1S/C6H8F3NO4/c7-6(8,9)1-4(12)10-2-3(11)5(13)14/h3,11H,1-2H2,(H,10,12)(H,13,14)
InChIKeyOHSVPEQXMGECQW-UHFFFAOYSA-N
XLogP-0.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid (CID 66165207) is 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid is O=C(CC(F)(F)F)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
The InChIKey is OHSVPEQXMGECQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO4/c7-6(8,9)1-4(12)10-2-3(11)5(13)14/h3,11H,1-2H2,(H,10,12)(H,13,14).
What are the key properties of 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid?
2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid has a molecular weight of 215.13 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3,3,3-trifluoropropanoylamino)propanoic acid is sourced from PubChem (CID 66165207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).