2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid

C10H16O2S — CID 84669587

IUPAC2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid
SMILESCC(C(=O)O)C1CC12CCSCC2
InChIInChI=1S/C10H16O2S/c1-7(9(11)12)8-6-10(8)2-4-13-5-3-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFSOFMHGRVDZGFO-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.24
Rot. Bonds2

About 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid

2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid (PubChem CID 84669587) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid
PubChem CID84669587
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid
SMILESCC(C(=O)O)C1CC12CCSCC2
InChIInChI=1S/C10H16O2S/c1-7(9(11)12)8-6-10(8)2-4-13-5-3-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyFSOFMHGRVDZGFO-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
CID 112716667
2-(4-fluorothian-4-yl)propanoic acid
CID 105446135
2-spiro[2.5]octan-8-ylpropanoic acid
CID 83906677
2-amino-2-(4-methyl-1-sulfanylcyclohexyl)acetic acid;2-amino-2-(4-sulfanylthian-4-yl)acetic acid
CID 159105478
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
2-amino-2-(4-sulfanylthian-4-yl)acetic acid;hydrochloride
CID 86736267
(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819
2-methyl-1-spiro[2.2]pentan-2-ylpropan-1-ol
CID 126971945
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
thiane-4-carbaldehyde;2-(thian-4-yl)propanoic acid
CID 162007951
1-spiro[2.2]pentan-2-ylethanamine
CID 130955875
4-[formyl(propan-2-yl)amino]thiane-4-carboxylic acid
CID 63705095

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid?
The IUPAC name of 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid (CID 84669587) is 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid?
The canonical SMILES for 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid is CC(C(=O)O)C1CC12CCSCC2.
What is the InChIKey of 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid?
The InChIKey is FSOFMHGRVDZGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(9(11)12)8-6-10(8)2-4-13-5-3-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid?
2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid has a molecular weight of 200.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid is sourced from PubChem (CID 84669587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).