2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid

C15H19N3O6 — CID 56892540

IUPAC2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)N1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O
InChIInChI=1S/C15H19N3O6/c1-9(19)18-8-15(6-11(18)13(22)23)2-4-17(5-3-15)14-16-10(7-24-14)12(20)21/h7,11H,2-6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyXANGGPAATQKQQT-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.66
Rot. Bonds3

About 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid

2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 56892540) has the molecular formula C15H19N3O6 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID56892540
Molecular FormulaC15H19N3O6
Molecular Weight337.33 g/mol
Exact Mass337.13
IUPAC Name2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid
SMILESCC(=O)N1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O
InChIInChI=1S/C15H19N3O6/c1-9(19)18-8-15(6-11(18)13(22)23)2-4-17(5-3-15)14-16-10(7-24-14)12(20)21/h7,11H,2-6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyXANGGPAATQKQQT-UHFFFAOYSA-N
XLogP0.66
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid (CID 56892540) is 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid is CC(=O)N1CC2(CCN(c3nc(C(=O)O)co3)CC2)CC1C(=O)O.
What is the InChIKey of 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is XANGGPAATQKQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6/c1-9(19)18-8-15(6-11(18)13(22)23)2-4-17(5-3-15)14-16-10(7-24-14)12(20)21/h7,11H,2-6,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid?
2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3-carboxy-2,8-diazaspiro[4.5]decan-8-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 56892540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).