(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid

C10H17NO2 — CID 90262412

IUPAC(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESCN1CC2(C[C@H]1C(=O)O)CC2(C)C
InChIInChI=1S/C10H17NO2/c1-9(2)5-10(9)4-7(8(12)13)11(3)6-10/h7H,4-6H2,1-3H3,(H,12,13)/t7-,10?/m0/s1
InChIKeyJIXWJNNDFBFYKI-BYDSUWOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds1

About (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid

(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 90262412) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID90262412
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESCN1CC2(C[C@H]1C(=O)O)CC2(C)C
InChIInChI=1S/C10H17NO2/c1-9(2)5-10(9)4-7(8(12)13)11(3)6-10/h7H,4-6H2,1-3H3,(H,12,13)/t7-,10?/m0/s1
InChIKeyJIXWJNNDFBFYKI-BYDSUWOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,4,4-trimethylpyrrolidine-2-carboxylic acid
CID 131632229
(3S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 69045674
1,5,5-trimethylpiperidine-2-carboxylic acid
CID 118119871
2-methyl-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylic acid
CID 21016321
ethane;1-[(5S)-7-methyl-7-azadispiro[3.0.45.14]decan-8-yl]ethanone
CID 143738811
ethane;1-[(7S)-2,2,6-trimethyl-6-azaspiro[3.4]octan-7-yl]ethanone
CID 143643613
molecular hydrogen;1-[(2S)-1,4,4-trimethylpyrrolidin-2-yl]ethanone
CID 177059296
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 89049247
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724104
1-[(3R)-2-methyl-2-azaspiro[4.4]nonan-3-yl]ethanone
CID 177059693

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 90262412) is (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid is CN1CC2(C[C@H]1C(=O)O)CC2(C)C.
What is the InChIKey of (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is JIXWJNNDFBFYKI-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)5-10(9)4-7(8(12)13)11(3)6-10/h7H,4-6H2,1-3H3,(H,12,13)/t7-,10?/m0/s1.
What are the key properties of (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
(6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,5-trimethyl-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 90262412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).