methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate

C10H16F3NO2 — CID 106523356

IUPACmethyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate
SMILESCOC(=O)C(C)(NC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16-2,10(11,12)13)14-7-5-3-4-6-7/h7,14H,3-6H2,1-2H3
InChIKeyJQEUSLIWXUHUJN-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate

methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate (PubChem CID 106523356) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate
PubChem CID106523356
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate
SMILESCOC(=O)C(C)(NC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-9(8(15)16-2,10(11,12)13)14-7-5-3-4-6-7/h7,14H,3-6H2,1-2H3
InChIKeyJQEUSLIWXUHUJN-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate?
The IUPAC name of methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate (CID 106523356) is methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate.
What is the SMILES notation for methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate?
The canonical SMILES for methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate is COC(=O)C(C)(NC1CCCC1)C(F)(F)F.
What is the InChIKey of methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate?
The InChIKey is JQEUSLIWXUHUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(8(15)16-2,10(11,12)13)14-7-5-3-4-6-7/h7,14H,3-6H2,1-2H3.
What are the key properties of methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate?
methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate has a molecular weight of 239.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylamino)-3,3,3-trifluoro-2-methylpropanoate is sourced from PubChem (CID 106523356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).