2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid

C11H18O2S — CID 112716667

IUPAC2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
SMILESCC(C(=O)O)C1CCSCC12CCC2
InChIInChI=1S/C11H18O2S/c1-8(10(12)13)9-3-6-14-7-11(9)4-2-5-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyJTIDANXRDWVYIR-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.63
Rot. Bonds2

About 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid

2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid (PubChem CID 112716667) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
PubChem CID112716667
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
SMILESCC(C(=O)O)C1CCSCC12CCC2
InChIInChI=1S/C11H18O2S/c1-8(10(12)13)9-3-6-14-7-11(9)4-2-5-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyJTIDANXRDWVYIR-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-spiro[2.5]octan-8-ylpropanoic acid
CID 83906677
2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
CID 82397414
2-(6-thiaspiro[2.5]octan-2-yl)propanoic acid
CID 84669587
7-thiaspiro[4.5]decan-10-ol
CID 82411755
thiane-4-carbaldehyde;2-(thian-4-yl)propanoic acid
CID 162007951
N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine
CID 83909866
3-[1-cyclopropylethyl(methyl)amino]thiolane-3-carboxylic acid
CID 82238546
3-(propan-2-ylamino)thiane-3-carboxylic acid
CID 62871063
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
2-amino-2-(4-methyl-1-sulfanylcyclohexyl)acetic acid;2-amino-2-(4-sulfanylthian-4-yl)acetic acid
CID 159105478
2-fluoro-2-(3-hydroxythian-3-yl)acetic acid
CID 79366891
2-(3-cyclopropylthian-3-yl)acetic acid
CID 83819300

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid?
The IUPAC name of 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid (CID 112716667) is 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid.
What is the SMILES notation for 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid?
The canonical SMILES for 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid is CC(C(=O)O)C1CCSCC12CCC2.
What is the InChIKey of 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid?
The InChIKey is JTIDANXRDWVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8(10(12)13)9-3-6-14-7-11(9)4-2-5-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid?
2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid has a molecular weight of 214.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid is sourced from PubChem (CID 112716667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).