2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride

C6H9ClF3NO3 — CID 87675801

IUPAC2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)O.Cl
InChIInChI=1S/C6H8F3NO3.ClH/c1-5(2,4(12)13)10-3(11)6(7,8)9;/h1-2H3,(H,10,11)(H,12,13);1H
InChIKeyHBEIAJHQOAYLLT-UHFFFAOYSA-N
MW235.59 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride

2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride (PubChem CID 87675801) has the molecular formula C6H9ClF3NO3 and a molecular weight of 235.59 g/mol. Its IUPAC name is 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride
PubChem CID87675801
Molecular FormulaC6H9ClF3NO3
Molecular Weight235.59 g/mol
Exact Mass235.02
IUPAC Name2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)O.Cl
InChIInChI=1S/C6H8F3NO3.ClH/c1-5(2,4(12)13)10-3(11)6(7,8)9;/h1-2H3,(H,10,11)(H,12,13);1H
InChIKeyHBEIAJHQOAYLLT-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.59
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride (CID 87675801) is 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride is CC(C)(NC(=O)C(F)(F)F)C(=O)O.Cl.
What is the InChIKey of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride?
The InChIKey is HBEIAJHQOAYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3.ClH/c1-5(2,4(12)13)10-3(11)6(7,8)9;/h1-2H3,(H,10,11)(H,12,13);1H.
What are the key properties of 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride?
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride has a molecular weight of 235.59 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 87675801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).