(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid

C6H10F3NO3 — CID 165174473

IUPAC(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCN[C@@H](COCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c1-10-4(5(11)12)2-13-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyNXSBBHCXHJKGLF-BYPYZUCNSA-N
MW201.14 g/mol
LogP0.24
Rot. Bonds5

About (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid

(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid (PubChem CID 165174473) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
PubChem CID165174473
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid
SMILESCN[C@@H](COCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO3/c1-10-4(5(11)12)2-13-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyNXSBBHCXHJKGLF-BYPYZUCNSA-N
XLogP0.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid (CID 165174473) is (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid is CN[C@@H](COCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
The InChIKey is NXSBBHCXHJKGLF-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-10-4(5(11)12)2-13-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid?
(2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid has a molecular weight of 201.14 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propanoic acid is sourced from PubChem (CID 165174473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).