9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid

C9H15NO2S — CID 83908400

IUPAC9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
SMILESNC1(C(=O)O)CCSCC12CCC2
InChIInChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-6-8(9)2-1-3-8/h1-6,10H2,(H,11,12)
InChIKeyFGXOGXPDHUIQAE-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.08
Rot. Bonds1

About 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid

9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid (PubChem CID 83908400) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid.

Molecular Properties

Compound Name9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
PubChem CID83908400
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
SMILESNC1(C(=O)O)CCSCC12CCC2
InChIInChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-6-8(9)2-1-3-8/h1-6,10H2,(H,11,12)
InChIKeyFGXOGXPDHUIQAE-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-butylsulfanylethyl)hexanoic acid
CID 140408264
2-Amino-2-cyclobutyl-4-methylsulfanylbutanoic acid
CID 144746500
(2S)-2-amino-2-(thian-2-yl)propanoic acid
CID 154318878
2-Amino-2-(2-methylthian-2-yl)propanoic acid
CID 18964734
2-[3-(2-Aminopropan-2-yl)thian-3-yl]acetic acid
CID 66089784
2-[3-(2-Aminopropan-2-yl)-5,5-dimethylthian-3-yl]acetic acid
CID 79947319
3-Amino-4,4-dimethylthiane-3-carboxylic acid
CID 79948067
2-[3-(2-Aminopropan-2-yl)-2-methylthian-3-yl]acetic acid
CID 79951992
2-[3-(2-Aminopropan-2-yl)-4,4-dimethylthian-3-yl]acetic acid
CID 79955202
8-Amino-5-thiaspiro[3.5]nonane-8-carboxylic acid
CID 82397233
7-Amino-4-thiaspiro[2.5]octane-7-carboxylic acid
CID 82405309
2-Amino-6-thiaspiro[2.5]octane-2-carboxylic acid
CID 83817714

Frequently Asked Questions

What is the IUPAC name of 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid?
The IUPAC name of 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid (CID 83908400) is 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid.
What is the SMILES notation for 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid?
The canonical SMILES for 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid is NC1(C(=O)O)CCSCC12CCC2.
What is the InChIKey of 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid?
The InChIKey is FGXOGXPDHUIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c10-9(7(11)12)4-5-13-6-8(9)2-1-3-8/h1-6,10H2,(H,11,12).
What are the key properties of 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid?
9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid has a molecular weight of 201.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid is sourced from PubChem (CID 83908400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).