8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H23N3O5 — CID 70726284

IUPAC8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ocnc1C(=O)N1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
InChIInChI=1S/C18H23N3O5/c1-11-14(19-10-26-11)16(23)21-9-18(8-13(21)17(24)25)4-6-20(7-5-18)15(22)12-2-3-12/h10,12-13H,2-9H2,1H3,(H,24,25)
InChIKeyZICDAFKKZOPPDI-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.30
Rot. Bonds3

About 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70726284) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70726284
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ocnc1C(=O)N1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O
InChIInChI=1S/C18H23N3O5/c1-11-14(19-10-26-11)16(23)21-9-18(8-13(21)17(24)25)4-6-20(7-5-18)15(22)12-2-3-12/h10,12-13H,2-9H2,1H3,(H,24,25)
InChIKeyZICDAFKKZOPPDI-UHFFFAOYSA-N
XLogP1.30
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70726284) is 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ocnc1C(=O)N1CC2(CCN(C(=O)C3CC3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZICDAFKKZOPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-11-14(19-10-26-11)16(23)21-9-18(8-13(21)17(24)25)4-6-20(7-5-18)15(22)12-2-3-12/h10,12-13H,2-9H2,1H3,(H,24,25).
What are the key properties of 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70726284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).