2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid

C19H26N2O3 — CID 90754710

IUPAC2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid
SMILESCONC1=C(C(C)(C)C)C2(CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-18(2,3)16-15(20-24-4)13-7-5-6-8-14(13)19(16)9-11-21(12-10-19)17(22)23/h5-8,20H,9-12H2,1-4H3,(H,22,23)
InChIKeyWWRJTEOEGZUDQB-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.62
Rot. Bonds2

About 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid

2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid (PubChem CID 90754710) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid
PubChem CID90754710
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid
SMILESCONC1=C(C(C)(C)C)C2(CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C19H26N2O3/c1-18(2,3)16-15(20-24-4)13-7-5-6-8-14(13)19(16)9-11-21(12-10-19)17(22)23/h5-8,20H,9-12H2,1-4H3,(H,22,23)
InChIKeyWWRJTEOEGZUDQB-UHFFFAOYSA-N
XLogP3.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid (CID 90754710) is 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid is CONC1=C(C(C)(C)C)C2(CCN(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid?
The InChIKey is WWRJTEOEGZUDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)16-15(20-24-4)13-7-5-6-8-14(13)19(16)9-11-21(12-10-19)17(22)23/h5-8,20H,9-12H2,1-4H3,(H,22,23).
What are the key properties of 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid?
2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 90754710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).