2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid

C6H9NO2S — CID 84650908

IUPAC2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CSC2
InChIInChI=1S/C6H9NO2S/c7-6(4(8)9)1-5(6)2-10-3-5/h1-3,7H2,(H,8,9)
InChIKeyOYVVRHGPOLXGTG-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.09
Rot. Bonds1

About 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid

2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid (PubChem CID 84650908) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid
PubChem CID84650908
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid
SMILESNC1(C(=O)O)CC12CSC2
InChIInChI=1S/C6H9NO2S/c7-6(4(8)9)1-5(6)2-10-3-5/h1-3,7H2,(H,8,9)
InChIKeyOYVVRHGPOLXGTG-UHFFFAOYSA-N
XLogP-0.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-6-thiaspiro[3.5]nonane-9-carboxylic acid
CID 83908400
2-amino-5-methoxycarbonyl-5-azaspiro[2.3]hexane-2-carboxylic acid
CID 84669304
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 129407585
cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 71528633
cis-(1S,2S)-1-amino-2-[carboxy(hydroxy)methyl]-2-fluorocyclopropane-1-carboxylic acid;hydrochloride
CID 158499146
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
[2-(aminomethyl)-5-thiaspiro[2.3]hexan-2-yl]methanol
CID 84650942
2-(aminomethyl)-6-thiaspiro[2.5]octane-2-carboxylic acid
CID 84670228
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
(3R)-3-amino-2,2-dimethylthiolane-3-carboxylic acid
CID 22213519
3-methoxythietane-3-carboxylic acid
CID 105429212

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid (CID 84650908) is 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid is NC1(C(=O)O)CC12CSC2.
What is the InChIKey of 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid?
The InChIKey is OYVVRHGPOLXGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c7-6(4(8)9)1-5(6)2-10-3-5/h1-3,7H2,(H,8,9).
What are the key properties of 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid?
2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid has a molecular weight of 159.21 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-thiaspiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 84650908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).