8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid

C9H15NO2S — CID 82397233

IUPAC8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid
SMILESNC1(C(=O)O)CCSC2(CCC2)C1
InChIInChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-8(6-9)2-1-3-8/h1-6,10H2,(H,11,12)
InChIKeyZZAHFZDKHHMIEV-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.22
Rot. Bonds1

About 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid

8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid (PubChem CID 82397233) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid.

Molecular Properties

Compound Name8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid
PubChem CID82397233
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid
SMILESNC1(C(=O)O)CCSC2(CCC2)C1
InChIInChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-8(6-9)2-1-3-8/h1-6,10H2,(H,11,12)
InChIKeyZZAHFZDKHHMIEV-UHFFFAOYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic 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

trans-(1R,2R)-1-amino-2-methylsulfanylcyclohexane-1-carboxylic acid
CID 154707137
2-Amino-2-cyclohexyl-4-methylsulfanylbutanoic acid
CID 140382207
2-Amino-2-(2-methylsulfanylethyl)decanoic acid
CID 141247502
2,6-Diamino-2,6-bis(2-methylsulfanylethyl)heptanedioic acid
CID 144452345
2-Amino-2-(2-methylsulfanylethyl)dodecanoic acid
CID 145653495
2-Amino-2-(1-methylsulfanylbutan-2-yl)octanoic acid
CID 145701788
(2S)-2-amino-2-(2-methylsulfanylethyl)octadecanoic acid
CID 151512340
(2S)-2-amino-2-(thian-2-yl)propanoic acid
CID 154318878
2-Amino-2-(2-methylsulfanylethyl)octadecanoic acid
CID 174347557
2-Amino-2-(2-methylthian-2-yl)propanoic acid
CID 18964734
Cyclohexanecarboxylic acid, 1-amino-3-(methylthio)-
CID 45089214
1-Amino-3-propan-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 79634818

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid?
The IUPAC name of 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid (CID 82397233) is 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid.
What is the SMILES notation for 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid?
The canonical SMILES for 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid is NC1(C(=O)O)CCSC2(CCC2)C1.
What is the InChIKey of 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid?
The InChIKey is ZZAHFZDKHHMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-8(6-9)2-1-3-8/h1-6,10H2,(H,11,12).
What are the key properties of 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid?
8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid has a molecular weight of 201.29 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-thiaspiro[3.5]nonane-8-carboxylic acid is sourced from PubChem (CID 82397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).