(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid

C7H10F3NO3 — CID 141046554

IUPAC(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(=O)N(CC(F)(F)F)[C@@H](C)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-4(6(13)14)11(5(2)12)3-7(8,9)10/h4H,3H2,1-2H3,(H,13,14)/t4-/m0/s1
InChIKeyOODHSFGQOXCVOD-BYPYZUCNSA-N
MW213.15 g/mol
LogP0.87
Rot. Bonds3

About (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid

(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 141046554) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID141046554
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(=O)N(CC(F)(F)F)[C@@H](C)C(=O)O
InChIInChI=1S/C7H10F3NO3/c1-4(6(13)14)11(5(2)12)3-7(8,9)10/h4H,3H2,1-2H3,(H,13,14)/t4-/m0/s1
InChIKeyOODHSFGQOXCVOD-BYPYZUCNSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 141046554) is (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(=O)N(CC(F)(F)F)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is OODHSFGQOXCVOD-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-4(6(13)14)11(5(2)12)3-7(8,9)10/h4H,3H2,1-2H3,(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid?
(2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 213.15 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 141046554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).