(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

C8H10F3NO3 — CID 93310450

IUPAC(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESC[C@@](NC(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyLEJURAOUNORKDQ-ZETCQYMHSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds3

About (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid

(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 93310450) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID93310450
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESC[C@@](NC(=O)C(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyLEJURAOUNORKDQ-ZETCQYMHSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 93310450) is (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is C[C@@](NC(=O)C(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is LEJURAOUNORKDQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-7(6(14)15,4-2-3-4)12-5(13)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid?
(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 225.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 93310450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).