(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate

C9H13F3N2O4 — CID 140611412

IUPAC(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate
SMILESNCC(OC(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)8(16)18-6(5-13)7(15)14-1-3-17-4-2-14/h6H,1-5,13H2
InChIKeyJMGYKGCBZKRATH-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.72
Rot. Bonds3

About (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate

(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate (PubChem CID 140611412) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate
PubChem CID140611412
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate
SMILESNCC(OC(=O)C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H13F3N2O4/c10-9(11,12)8(16)18-6(5-13)7(15)14-1-3-17-4-2-14/h6H,1-5,13H2
InChIKeyJMGYKGCBZKRATH-UHFFFAOYSA-N
XLogP-0.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate (CID 140611412) is (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate is NCC(OC(=O)C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is JMGYKGCBZKRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c10-9(11,12)8(16)18-6(5-13)7(15)14-1-3-17-4-2-14/h6H,1-5,13H2.
What are the key properties of (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate?
(3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 270.21 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 140611412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).