(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H20ClFN2O3 — CID 97129086

IUPAC(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CN1
InChIInChI=1S/C17H20ClFN2O3/c18-12-2-1-3-13(19)11(12)8-15(22)21-6-4-17(5-7-21)9-14(16(23)24)20-10-17/h1-3,14,20H,4-10H2,(H,23,24)/t14-/m1/s1
InChIKeyUZVNMCTXPLLAES-CQSZACIVSA-N
MW354.81 g/mol
LogP2.08
Rot. Bonds3

About (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97129086) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97129086
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CN1
InChIInChI=1S/C17H20ClFN2O3/c18-12-2-1-3-13(19)11(12)8-15(22)21-6-4-17(5-7-21)9-14(16(23)24)20-10-17/h1-3,14,20H,4-10H2,(H,23,24)/t14-/m1/s1
InChIKeyUZVNMCTXPLLAES-CQSZACIVSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

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(2S,5S)-1-[2-(4-chloro-3-fluorophenyl)acetyl]-5-(methylcarbamoyl)piperidine-2-carboxylic acid
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CID 18403489
1-(1-Carboxyethyl)-4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]piperidine-4-carboxylic acid
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2-[4-[[2-(2-Chloro-6-fluorophenyl)acetyl]amino]-4-cyanopiperidin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97129086) is (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CN1.
What is the InChIKey of (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is UZVNMCTXPLLAES-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c18-12-2-1-3-13(19)11(12)8-15(22)21-6-4-17(5-7-21)9-14(16(23)24)20-10-17/h1-3,14,20H,4-10H2,(H,23,24)/t14-/m1/s1.
What are the key properties of (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 354.81 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97129086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).