ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid

C11H17F3N2O6 — CID 71758408

IUPACethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)CNC(=O)C1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O4.C2HF3O2/c1-2-15-8(12)5-11-9(13)7-6-14-4-3-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,13);(H,6,7)
InChIKeyQRZPOPSIQGCERL-UHFFFAOYSA-N
MW330.26 g/mol
LogP-0.71
Rot. Bonds4

About ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid

ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid (PubChem CID 71758408) has the molecular formula C11H17F3N2O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid
PubChem CID71758408
Molecular FormulaC11H17F3N2O6
Molecular Weight330.26 g/mol
Exact Mass330.10
IUPAC Nameethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid
SMILESCCOC(=O)CNC(=O)C1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O4.C2HF3O2/c1-2-15-8(12)5-11-9(13)7-6-14-4-3-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,13);(H,6,7)
InChIKeyQRZPOPSIQGCERL-UHFFFAOYSA-N
XLogP-0.71
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid (CID 71758408) is ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid is CCOC(=O)CNC(=O)C1COCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid?
The InChIKey is QRZPOPSIQGCERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.C2HF3O2/c1-2-15-8(12)5-11-9(13)7-6-14-4-3-10-7;3-2(4,5)1(6)7/h7,10H,2-6H2,1H3,(H,11,13);(H,6,7).
What are the key properties of ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid?
ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid has a molecular weight of 330.26 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(morpholine-3-carbonylamino)acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71758408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).