(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C16H19FN4O5 — CID 135238413

IUPAC(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)C[C@@H](n1cc(F)cn1)CO2
InChIInChI=1S/C16H19FN4O5/c17-11-8-18-20(9-11)12-7-16(25-10-12)3-5-19(6-4-16)15(24)26-21-13(22)1-2-14(21)23/h8-9,12H,1-7,10H2/t12-/m1/s1
InChIKeyQMJYILXMMOPQTQ-GFCCVEGCSA-N
MW366.35 g/mol
LogP1.02
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 135238413) has the molecular formula C16H19FN4O5 and a molecular weight of 366.35 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID135238413
Molecular FormulaC16H19FN4O5
Molecular Weight366.35 g/mol
Exact Mass366.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)N1CCC2(CC1)C[C@@H](n1cc(F)cn1)CO2
InChIInChI=1S/C16H19FN4O5/c17-11-8-18-20(9-11)12-7-16(25-10-12)3-5-19(6-4-16)15(24)26-21-13(22)1-2-14(21)23/h8-9,12H,1-7,10H2/t12-/m1/s1
InChIKeyQMJYILXMMOPQTQ-GFCCVEGCSA-N
XLogP1.02
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135237190
Tert-butyl 3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135237200
(3S)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135237277
3-(4-Fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135240651
tert-butyl (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135251170
propan-2-yl (3S)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 172798561
1-[(5R,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155828550
1-[(5R,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155849266
1-[(5R,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97476790
1-[(5R,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97477675
1-[(5S,9S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124815831
1-[(5S,9R)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124815833

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 135238413) is (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is O=C(ON1C(=O)CCC1=O)N1CCC2(CC1)C[C@@H](n1cc(F)cn1)CO2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is QMJYILXMMOPQTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN4O5/c17-11-8-18-20(9-11)12-7-16(25-10-12)3-5-19(6-4-16)15(24)26-21-13(22)1-2-14(21)23/h8-9,12H,1-7,10H2/t12-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 366.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (3R)-3-(4-fluoropyrazol-1-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135238413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).