4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

C11H19NO4 — CID 90970306

IUPAC4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC1(C)OCC2(CCN(C(=O)O)CC2)C1O
InChIInChI=1S/C11H19NO4/c1-10(2)8(13)11(7-16-10)3-5-12(6-4-11)9(14)15/h8,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQATBBBJICXLSTP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.92
Rot. Bonds

About 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid

4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 90970306) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID90970306
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC1(C)OCC2(CCN(C(=O)O)CC2)C1O
InChIInChI=1S/C11H19NO4/c1-10(2)8(13)11(7-16-10)3-5-12(6-4-11)9(14)15/h8,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQATBBBJICXLSTP-UHFFFAOYSA-N
XLogP0.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,8-trimethyl-2-oxa-8-azaspiro[4.5]decan-4-ol
CID 67987644
3-tert-butyl-2-oxa-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 90725084
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid
CID 139347170
(3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68609344
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
CID 69088167
3-tert-butyl-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 71775947
4-fluoro-8-azaspiro[4.5]decane-8-carboxylic acid
CID 152560175
2-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 66665348
4-[[(2S)-2-methyloxiran-2-yl]methyl]piperazine-1-carboxylic acid
CID 87851926
2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 175711644

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid (CID 90970306) is 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is CC1(C)OCC2(CCN(C(=O)O)CC2)C1O.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is QATBBBJICXLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2)8(13)11(7-16-10)3-5-12(6-4-11)9(14)15/h8,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid?
4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 90970306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).