N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate

C10H15F3N2O4 — CID 86615828

IUPACN-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CC1)C1C[NH2+]CCO1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyGVIUHUHQTPNINO-UHFFFAOYSA-N
MW284.23 g/mol
LogP-2.47
Rot. Bonds2

About N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate

N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate (PubChem CID 86615828) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate
PubChem CID86615828
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC NameN-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CC1)C1C[NH2+]CCO1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7)
InChIKeyGVIUHUHQTPNINO-UHFFFAOYSA-N
XLogP-2.47
TPSA95.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate?
The IUPAC name of N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate (CID 86615828) is N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate.
What is the SMILES notation for N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate?
The canonical SMILES for N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate is O=C(NC1CC1)C1C[NH2+]CCO1.O=C([O-])C(F)(F)F.
What is the InChIKey of N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate?
The InChIKey is GVIUHUHQTPNINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2HF3O2/c11-8(10-6-1-2-6)7-5-9-3-4-12-7;3-2(4,5)1(6)7/h6-7,9H,1-5H2,(H,10,11);(H,6,7).
What are the key properties of N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate?
N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate has a molecular weight of 284.23 g/mol, XLogP of -2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylmorpholin-4-ium-2-carboxamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 86615828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).