1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H24N2O4 — CID 72918111

IUPAC1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C20H24N2O4/c1-21-16(23)13-15(17(24)25)20(21)9-11-22(12-10-20)18(26)19(7-8-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,24,25)
InChIKeyBSNPEPNQPOXLHX-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.64
Rot. Bonds3

About 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72918111) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72918111
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C20H24N2O4/c1-21-16(23)13-15(17(24)25)20(21)9-11-22(12-10-20)18(26)19(7-8-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,24,25)
InChIKeyBSNPEPNQPOXLHX-UHFFFAOYSA-N
XLogP1.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72918111) is 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)C1(c3ccccc3)CC1)CC2.
What is the InChIKey of 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is BSNPEPNQPOXLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-21-16(23)13-15(17(24)25)20(21)9-11-22(12-10-20)18(26)19(7-8-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,24,25).
What are the key properties of 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(1-phenylcyclopropanecarbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72918111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).