methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate

C8H14F3NO2 — CID 141029504

IUPACmethyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate
SMILESCCC(C(F)(F)F)C(C)(N)C(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-4-5(8(9,10)11)7(2,12)6(13)14-3/h5H,4,12H2,1-3H3
InChIKeyWNLHNQZTYIEKCC-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate

methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate (PubChem CID 141029504) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate
PubChem CID141029504
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namemethyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate
SMILESCCC(C(F)(F)F)C(C)(N)C(=O)OC
InChIInChI=1S/C8H14F3NO2/c1-4-5(8(9,10)11)7(2,12)6(13)14-3/h5H,4,12H2,1-3H3
InChIKeyWNLHNQZTYIEKCC-UHFFFAOYSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate (CID 141029504) is methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate is CCC(C(F)(F)F)C(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate?
The InChIKey is WNLHNQZTYIEKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-4-5(8(9,10)11)7(2,12)6(13)14-3/h5H,4,12H2,1-3H3.
What are the key properties of methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate?
methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate has a molecular weight of 213.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-3-(trifluoromethyl)pentanoate is sourced from PubChem (CID 141029504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).