4-amino-5-methylthiolane-3-carboxylic acid

C6H11NO2S — CID 83845761

IUPAC4-amino-5-methylthiolane-3-carboxylic acid
SMILESCC1SCC(C(=O)O)C1N
InChIInChI=1S/C6H11NO2S/c1-3-5(7)4(2-10-3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyCHQNLUOQZJEHFI-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.15
Rot. Bonds1

About 4-amino-5-methylthiolane-3-carboxylic acid

4-amino-5-methylthiolane-3-carboxylic acid (PubChem CID 83845761) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 4-amino-5-methylthiolane-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methylthiolane-3-carboxylic acid
PubChem CID83845761
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name4-amino-5-methylthiolane-3-carboxylic acid
SMILESCC1SCC(C(=O)O)C1N
InChIInChI=1S/C6H11NO2S/c1-3-5(7)4(2-10-3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyCHQNLUOQZJEHFI-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylthiolane-3-carboxylic acid?
The IUPAC name of 4-amino-5-methylthiolane-3-carboxylic acid (CID 83845761) is 4-amino-5-methylthiolane-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-methylthiolane-3-carboxylic acid?
The canonical SMILES for 4-amino-5-methylthiolane-3-carboxylic acid is CC1SCC(C(=O)O)C1N.
What is the InChIKey of 4-amino-5-methylthiolane-3-carboxylic acid?
The InChIKey is CHQNLUOQZJEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-3-5(7)4(2-10-3)6(8)9/h3-5H,2,7H2,1H3,(H,8,9).
What are the key properties of 4-amino-5-methylthiolane-3-carboxylic acid?
4-amino-5-methylthiolane-3-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylthiolane-3-carboxylic acid is sourced from PubChem (CID 83845761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).