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

C5H10ClNO2S — CID 122513295

IUPAC(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CS[C@H](C(=O)O)C1
InChIInChI=1S/C5H9NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyUBOSBWVRFTXFNO-MMALYQPHSA-N
MW183.66 g/mol
LogP0.33
Rot. Bonds1

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

(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride (PubChem CID 122513295) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
PubChem CID122513295
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
SMILESCl.N[C@@H]1CS[C@H](C(=O)O)C1
InChIInChI=1S/C5H9NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1
InChIKeyUBOSBWVRFTXFNO-MMALYQPHSA-N
XLogP0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-aminothiolane-2-carboxylic acid
CID 96636367
methyl 4-aminothiolane-2-carboxylate
CID 82415389
4-(2-sulfanylethyl)thiolane-2-carboxylic acid
CID 174276069
(2R,4R)-4-(prop-2-enoxycarbonylamino)thiolane-2-carboxylic acid
CID 178194587
2-oxo-1,3-dithiolane-4-carboxylic acid
CID 13402514
(2S,4S)-4-[[(1R,5S)-6,6-difluorobicyclo[3.1.0]hexane-3-carbonyl]amino]thiolane-2-carboxylic acid
CID 154870787
(2S,4S)-4-[[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]amino]thiolane-2-carboxylic acid
CID 167932492
carbonic acid;cyclopropanamine
CID 70000861
2-[(1R,2R)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769500
2-[(1S,2S)-2-aminocyclopropyl]acetic acid;hydrochloride
CID 71769504
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
(3R,6S,7aR)-6-amino-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 99943676

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride (CID 122513295) is (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride is Cl.N[C@@H]1CS[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride?
The InChIKey is UBOSBWVRFTXFNO-MMALYQPHSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h3-4H,1-2,6H2,(H,7,8);1H/t3-,4-;/m0./s1.
What are the key properties of (2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride?
(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of 0.33, 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;hydrochloride is sourced from PubChem (CID 122513295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).