(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H23FN2O2 — CID 51440317

IUPAC(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1CCC2(CC1)CN(Cc1ccc(F)cc1)C[C@H]2C(=O)O
InChIInChI=1S/C17H23FN2O2/c1-19-8-6-17(7-9-19)12-20(11-15(17)16(21)22)10-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXNUQHECOGQSOOF-HNNXBMFYSA-N
MW306.38 g/mol
LogP2.05
Rot. Bonds3

About (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid

(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 51440317) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID51440317
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1CCC2(CC1)CN(Cc1ccc(F)cc1)C[C@H]2C(=O)O
InChIInChI=1S/C17H23FN2O2/c1-19-8-6-17(7-9-19)12-20(11-15(17)16(21)22)10-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyXNUQHECOGQSOOF-HNNXBMFYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 51440317) is (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1CCC2(CC1)CN(Cc1ccc(F)cc1)C[C@H]2C(=O)O.
What is the InChIKey of (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is XNUQHECOGQSOOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-19-8-6-17(7-9-19)12-20(11-15(17)16(21)22)10-13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(4-fluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 51440317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).