methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

C11H19F3N2O2 — CID 43786787

IUPACmethyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(10(17)18-2)15-9-3-5-16(6-4-9)7-11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyZEOZPBDTYPETAT-QMMMGPOBSA-N
MW268.28 g/mol
LogP1.16
Rot. Bonds4

About methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate

methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (PubChem CID 43786787) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
PubChem CID43786787
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Namemethyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-8(10(17)18-2)15-9-3-5-16(6-4-9)7-11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyZEOZPBDTYPETAT-QMMMGPOBSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate (CID 43786787) is methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is COC(=O)[C@H](C)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
The InChIKey is ZEOZPBDTYPETAT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(10(17)18-2)15-9-3-5-16(6-4-9)7-11(12,13)14/h8-9,15H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate?
methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate has a molecular weight of 268.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate is sourced from PubChem (CID 43786787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).