3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

C19H29N3O4 — CID 155283919

IUPAC3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESCCC1N(C(=O)O)CC12CC(N1CCC3(CC1)OC(=O)N1CCCC13)C2
InChIInChI=1S/C19H29N3O4/c1-2-14-18(12-22(14)16(23)24)10-13(11-18)20-8-5-19(6-9-20)15-4-3-7-21(15)17(25)26-19/h13-15H,2-12H2,1H3,(H,23,24)
InChIKeyDSOUIZDHRMIEKB-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.36
Rot. Bonds2

About 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 155283919) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
PubChem CID155283919
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESCCC1N(C(=O)O)CC12CC(N1CCC3(CC1)OC(=O)N1CCCC13)C2
InChIInChI=1S/C19H29N3O4/c1-2-14-18(12-22(14)16(23)24)10-13(11-18)20-8-5-19(6-9-20)15-4-3-7-21(15)17(25)26-19/h13-15H,2-12H2,1H3,(H,23,24)
InChIKeyDSOUIZDHRMIEKB-UHFFFAOYSA-N
XLogP2.36
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (CID 155283919) is 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is CCC1N(C(=O)O)CC12CC(N1CCC3(CC1)OC(=O)N1CCCC13)C2.
What is the InChIKey of 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is DSOUIZDHRMIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-2-14-18(12-22(14)16(23)24)10-13(11-18)20-8-5-19(6-9-20)15-4-3-7-21(15)17(25)26-19/h13-15H,2-12H2,1H3,(H,23,24).
What are the key properties of 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(3-oxospiro[5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,4'-piperidine]-1'-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 155283919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).