2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid

C10H17NO3 — CID 84668949

IUPAC2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid
SMILESCN1CCCC2(C1)CC2(CO)C(=O)O
InChIInChI=1S/C10H17NO3/c1-11-4-2-3-9(6-11)5-10(9,7-12)8(13)14/h12H,2-7H2,1H3,(H,13,14)
InChIKeyKHIQMRNKIWJZOV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.17
Rot. Bonds2

About 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid

2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 84668949) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID84668949
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid
SMILESCN1CCCC2(C1)CC2(CO)C(=O)O
InChIInChI=1S/C10H17NO3/c1-11-4-2-3-9(6-11)5-10(9,7-12)8(13)14/h12H,2-7H2,1H3,(H,13,14)
InChIKeyKHIQMRNKIWJZOV-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84668340
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2-(3-amino-1-methylpiperidin-3-yl)acetamide
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CID 18711354
(3S)-3-ethyl-1-methylpiperidin-3-ol
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2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 83821336
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
CID 84797346
1-methyl-4-(2-oxopropyl)azepane-4-carboxylic acid
CID 115028358

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid (CID 84668949) is 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid is CN1CCCC2(C1)CC2(CO)C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is KHIQMRNKIWJZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11-4-2-3-9(6-11)5-10(9,7-12)8(13)14/h12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid?
2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methyl-5-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 84668949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).