methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride

C8H15ClF3NO2 — CID 138991110

IUPACmethyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride
SMILESCOC(=O)C(N)(CC(C)C)C(F)(F)F.Cl
InChIInChI=1S/C8H14F3NO2.ClH/c1-5(2)4-7(12,6(13)14-3)8(9,10)11;/h5H,4,12H2,1-3H3;1H
InChIKeyXXCLBVPOZAAKMQ-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride

methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride (PubChem CID 138991110) has the molecular formula C8H15ClF3NO2 and a molecular weight of 249.66 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride
PubChem CID138991110
Molecular FormulaC8H15ClF3NO2
Molecular Weight249.66 g/mol
Exact Mass249.07
IUPAC Namemethyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride
SMILESCOC(=O)C(N)(CC(C)C)C(F)(F)F.Cl
InChIInChI=1S/C8H14F3NO2.ClH/c1-5(2)4-7(12,6(13)14-3)8(9,10)11;/h5H,4,12H2,1-3H3;1H
InChIKeyXXCLBVPOZAAKMQ-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride?
The IUPAC name of methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride (CID 138991110) is methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride is COC(=O)C(N)(CC(C)C)C(F)(F)F.Cl.
What is the InChIKey of methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride?
The InChIKey is XXCLBVPOZAAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.ClH/c1-5(2)4-7(12,6(13)14-3)8(9,10)11;/h5H,4,12H2,1-3H3;1H.
What are the key properties of methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride?
methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride has a molecular weight of 249.66 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate;hydrochloride is sourced from PubChem (CID 138991110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).