2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid

C23H28F2N2O5 — CID 15940358

IUPAC2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)CCCC1
InChIInChI=1S/C23H28F2N2O5/c24-17-4-3-16(11-18(17)25)14-27-15-23(32-21(27)31)7-9-26(10-8-23)19(28)12-22(13-20(29)30)5-1-2-6-22/h3-4,11H,1-2,5-10,12-15H2,(H,29,30)
InChIKeyAZKRYATYGVDULH-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.70
Rot. Bonds6

About 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 15940358) has the molecular formula C23H28F2N2O5 and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID15940358
Molecular FormulaC23H28F2N2O5
Molecular Weight450.48 g/mol
Exact Mass450.20
IUPAC Name2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)CCCC1
InChIInChI=1S/C23H28F2N2O5/c24-17-4-3-16(11-18(17)25)14-27-15-23(32-21(27)31)7-9-26(10-8-23)19(28)12-22(13-20(29)30)5-1-2-6-22/h3-4,11H,1-2,5-10,12-15H2,(H,29,30)
InChIKeyAZKRYATYGVDULH-UHFFFAOYSA-N
XLogP3.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid (CID 15940358) is 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCC3(CC2)CN(Cc2ccc(F)c(F)c2)C(=O)O3)CCCC1.
What is the InChIKey of 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AZKRYATYGVDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O5/c24-17-4-3-16(11-18(17)25)14-27-15-23(32-21(27)31)7-9-26(10-8-23)19(28)12-22(13-20(29)30)5-1-2-6-22/h3-4,11H,1-2,5-10,12-15H2,(H,29,30).
What are the key properties of 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 450.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 15940358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).