(3S)-3-aminothiolane-3-carboxylic acid

C5H9NO2S — CID 40532254

IUPAC(3S)-3-aminothiolane-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCSC1
InChIInChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
InChIKeySAKWWHXZZFRWCN-RXMQYKEDSA-N
MW147.20 g/mol
LogP-0.09
Rot. Bonds1

About (3S)-3-aminothiolane-3-carboxylic acid

(3S)-3-aminothiolane-3-carboxylic acid (PubChem CID 40532254) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (3S)-3-aminothiolane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-aminothiolane-3-carboxylic acid
PubChem CID40532254
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(3S)-3-aminothiolane-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCSC1
InChIInChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1
InChIKeySAKWWHXZZFRWCN-RXMQYKEDSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminothiolane-3-carboxylic acid?
The IUPAC name of (3S)-3-aminothiolane-3-carboxylic acid (CID 40532254) is (3S)-3-aminothiolane-3-carboxylic acid.
What is the SMILES notation for (3S)-3-aminothiolane-3-carboxylic acid?
The canonical SMILES for (3S)-3-aminothiolane-3-carboxylic acid is N[C@]1(C(=O)O)CCSC1.
What is the InChIKey of (3S)-3-aminothiolane-3-carboxylic acid?
The InChIKey is SAKWWHXZZFRWCN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9NO2S/c6-5(4(7)8)1-2-9-3-5/h1-3,6H2,(H,7,8)/t5-/m1/s1.
What are the key properties of (3S)-3-aminothiolane-3-carboxylic acid?
(3S)-3-aminothiolane-3-carboxylic acid has a molecular weight of 147.20 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 (3S)-3-aminothiolane-3-carboxylic acid is sourced from PubChem (CID 40532254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).