(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid

C11H18FNO2 — CID 146500878

IUPAC(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC[C@@H]1CC2(CCN(C(=O)O)CC2)C[C@@H]1F
InChIInChI=1S/C11H18FNO2/c1-8-6-11(7-9(8)12)2-4-13(5-3-11)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyLJCKOSIZXVTJCQ-BDAKNGLRSA-N
MW215.27 g/mol
LogP2.51
Rot. Bonds

About (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid

(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 146500878) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID146500878
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESC[C@@H]1CC2(CCN(C(=O)O)CC2)C[C@@H]1F
InChIInChI=1S/C11H18FNO2/c1-8-6-11(7-9(8)12)2-4-13(5-3-11)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyLJCKOSIZXVTJCQ-BDAKNGLRSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid (CID 146500878) is (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid is C[C@@H]1CC2(CCN(C(=O)O)CC2)C[C@@H]1F.
What is the InChIKey of (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is LJCKOSIZXVTJCQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8-6-11(7-9(8)12)2-4-13(5-3-11)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
(2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 215.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-2-methyl-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 146500878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).