(2S,4S)-4-aminothiolane-2-carboxylic acid

C5H9NO2S — CID 96636364

IUPAC(2S,4S)-4-aminothiolane-2-carboxylic acid
SMILESN[C@@H]1CS[C@H](C(=O)O)C1
InChIInChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyDHQBUVNDDNLKOA-IMJSIDKUSA-N
MW147.20 g/mol
LogP-0.10
Rot. Bonds1

About (2S,4S)-4-aminothiolane-2-carboxylic acid

(2S,4S)-4-aminothiolane-2-carboxylic acid (PubChem CID 96636364) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (2S,4S)-4-aminothiolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-aminothiolane-2-carboxylic acid
PubChem CID96636364
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(2S,4S)-4-aminothiolane-2-carboxylic acid
SMILESN[C@@H]1CS[C@H](C(=O)O)C1
InChIInChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyDHQBUVNDDNLKOA-IMJSIDKUSA-N
XLogP-0.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-aminothiolane-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-aminothiolane-2-carboxylic acid (CID 96636364) is (2S,4S)-4-aminothiolane-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-aminothiolane-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-aminothiolane-2-carboxylic acid is N[C@@H]1CS[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-aminothiolane-2-carboxylic acid?
The InChIKey is DHQBUVNDDNLKOA-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-4-aminothiolane-2-carboxylic acid?
(2S,4S)-4-aminothiolane-2-carboxylic acid has a molecular weight of 147.20 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-aminothiolane-2-carboxylic acid is sourced from PubChem (CID 96636364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).