3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid

C12H21NO3 — CID 90725084

IUPAC3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1OCC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H21NO3/c1-11(2,3)9-12(8-16-9)4-6-13(7-5-12)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyKCXLIQCQFGYTOL-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.19
Rot. Bonds

About 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid

3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 90725084) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID90725084
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
SMILESCC(C)(C)C1OCC12CCN(C(=O)O)CC2
InChIInChI=1S/C12H21NO3/c1-11(2,3)9-12(8-16-9)4-6-13(7-5-12)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyKCXLIQCQFGYTOL-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 90970306
5-tert-butyl-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 130301440
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(3R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 124639064
2-tert-butyl-2-cyano-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 146599492
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
(4R)-2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azaspiro[4.5]decane-8-carboxylic acid
CID 146563060
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
CID 69088167

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid (CID 90725084) is 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid is CC(C)(C)C1OCC12CCN(C(=O)O)CC2.
What is the InChIKey of 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is KCXLIQCQFGYTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)9-12(8-16-9)4-6-13(7-5-12)10(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid?
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 90725084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).