(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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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).