cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate

C19H22FNO5 — CID 97014118

IUPACcis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C19H22FNO5/c20-16-4-2-1-3-13(16)14-11-15(14)18(23)24-12-17(22)21-7-5-19(6-8-21)25-9-10-26-19/h1-4,14-15H,5-12H2/t14-,15-/m0/s1
InChIKeyWHUQBONTPZWGHJ-GJZGRUSLSA-N
MW363.39 g/mol
LogP1.84
Rot. Bonds4

About cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate

cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 97014118) has the molecular formula C19H22FNO5 and a molecular weight of 363.39 g/mol. Its IUPAC name is cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID97014118
Molecular FormulaC19H22FNO5
Molecular Weight363.39 g/mol
Exact Mass363.15
IUPAC Namecis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@H]1C[C@H]1c1ccccc1F
InChIInChI=1S/C19H22FNO5/c20-16-4-2-1-3-13(16)14-11-15(14)18(23)24-12-17(22)21-7-5-19(6-8-21)25-9-10-26-19/h1-4,14-15H,5-12H2/t14-,15-/m0/s1
InChIKeyWHUQBONTPZWGHJ-GJZGRUSLSA-N
XLogP1.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate (CID 97014118) is cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate is O=C(OCC(=O)N1CCC2(CC1)OCCO2)[C@H]1C[C@H]1c1ccccc1F.
What is the InChIKey of cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is WHUQBONTPZWGHJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H22FNO5/c20-16-4-2-1-3-13(16)14-11-15(14)18(23)24-12-17(22)21-7-5-19(6-8-21)25-9-10-26-19/h1-4,14-15H,5-12H2/t14-,15-/m0/s1.
What are the key properties of cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate?
cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 363.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl] (1S,2R)-2-(2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 97014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).