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

C18H23N3O6 — CID 56910886

IUPAC2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C18H23N3O6/c22-15(11-1-2-11)21-10-18(7-13(21)17(25)26)3-5-20(6-4-18)8-14-19-12(9-27-14)16(23)24/h9,11,13H,1-8,10H2,(H,23,24)(H,25,26)
InChIKeyOQXAQFKSGFYGOA-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.05
Rot. Bonds5

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

2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 56910886) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID56910886
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1
InChIInChI=1S/C18H23N3O6/c22-15(11-1-2-11)21-10-18(7-13(21)17(25)26)3-5-20(6-4-18)8-14-19-12(9-27-14)16(23)24/h9,11,13H,1-8,10H2,(H,23,24)(H,25,26)
InChIKeyOQXAQFKSGFYGOA-UHFFFAOYSA-N
XLogP1.05
TPSA124.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 56910886) is 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n1.
What is the InChIKey of 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is OQXAQFKSGFYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c22-15(11-1-2-11)21-10-18(7-13(21)17(25)26)3-5-20(6-4-18)8-14-19-12(9-27-14)16(23)24/h9,11,13H,1-8,10H2,(H,23,24)(H,25,26).
What are the key properties of 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-carboxy-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 56910886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).