3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid

C18H24N2O3 — CID 72840837

IUPAC3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCC(=O)O)CC2
InChIInChI=1S/C18H24N2O3/c1-19-17(23)15(14-5-3-2-4-6-14)13-18(19)8-11-20(12-9-18)10-7-16(21)22/h2-6,15H,7-13H2,1H3,(H,21,22)
InChIKeyWCGNTYCNOMFIID-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.94
Rot. Bonds4

About 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid

3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid (PubChem CID 72840837) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid
PubChem CID72840837
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid
SMILESCN1C(=O)C(c2ccccc2)CC12CCN(CCC(=O)O)CC2
InChIInChI=1S/C18H24N2O3/c1-19-17(23)15(14-5-3-2-4-6-14)13-18(19)8-11-20(12-9-18)10-7-16(21)22/h2-6,15H,7-13H2,1H3,(H,21,22)
InChIKeyWCGNTYCNOMFIID-UHFFFAOYSA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid?
The IUPAC name of 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid (CID 72840837) is 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid.
What is the SMILES notation for 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid?
The canonical SMILES for 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid is CN1C(=O)C(c2ccccc2)CC12CCN(CCC(=O)O)CC2.
What is the InChIKey of 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid?
The InChIKey is WCGNTYCNOMFIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-19-17(23)15(14-5-3-2-4-6-14)13-18(19)8-11-20(12-9-18)10-7-16(21)22/h2-6,15H,7-13H2,1H3,(H,21,22).
What are the key properties of 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid?
3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid has a molecular weight of 316.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)propanoic acid is sourced from PubChem (CID 72840837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).