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

C5H9NO2S — CID 96636367

IUPAC(2R,4R)-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-/m1/s1
InChIKeyDHQBUVNDDNLKOA-QWWZWVQMSA-N
MW147.20 g/mol
LogP-0.10
Rot. Bonds1

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

(2R,4R)-4-aminothiolane-2-carboxylic acid (PubChem CID 96636367) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (2R,4R)-4-aminothiolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-aminothiolane-2-carboxylic acid
PubChem CID96636367
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(2R,4R)-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-/m1/s1
InChIKeyDHQBUVNDDNLKOA-QWWZWVQMSA-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

Analyze (2R,4R)-4-aminothiolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-4-aminothiolane-2-carboxylic acid;hydrochloride
CID 122513295
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
(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
6-[(2S,4R)-4-aminothiolan-2-yl]hexan-2-one
CID 163416224
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
4-aminocyclohexane-1,2-dicarboxylic acid
CID 22559921

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-aminothiolane-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-aminothiolane-2-carboxylic acid (CID 96636367) is (2R,4R)-4-aminothiolane-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-aminothiolane-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-aminothiolane-2-carboxylic acid is N[C@H]1CS[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-aminothiolane-2-carboxylic acid?
The InChIKey is DHQBUVNDDNLKOA-QWWZWVQMSA-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-/m1/s1.
What are the key properties of (2R,4R)-4-aminothiolane-2-carboxylic acid?
(2R,4R)-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 (2R,4R)-4-aminothiolane-2-carboxylic acid is sourced from PubChem (CID 96636367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).