6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C17H23N3O4 — CID 119174670

IUPAC6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCCc1nc(C3CC3)no1)CC2
InChIInChI=1S/C17H23N3O4/c21-14(3-1-2-13-18-15(19-24-13)11-4-5-11)20-8-6-17(7-9-20)10-12(17)16(22)23/h11-12H,1-10H2,(H,22,23)
InChIKeyOIRQGMVEFQKAQE-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.98
Rot. Bonds6

About 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174670) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174670
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCCc1nc(C3CC3)no1)CC2
InChIInChI=1S/C17H23N3O4/c21-14(3-1-2-13-18-15(19-24-13)11-4-5-11)20-8-6-17(7-9-20)10-12(17)16(22)23/h11-12H,1-10H2,(H,22,23)
InChIKeyOIRQGMVEFQKAQE-UHFFFAOYSA-N
XLogP1.98
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

1-(2-azaspiro[5.5]undecan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 84584459
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577941
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
CID 167988619
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546481
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
6-(4-naphthalen-2-ylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514748
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65390677
1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 75444755
6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514759
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174670) is 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)CCCc1nc(C3CC3)no1)CC2.
What is the InChIKey of 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is OIRQGMVEFQKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-14(3-1-2-13-18-15(19-24-13)11-4-5-11)20-8-6-17(7-9-20)10-12(17)16(22)23/h11-12H,1-10H2,(H,22,23).
What are the key properties of 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).