(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H17NO4S — CID 80593854

IUPAC(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)C1CCCCS1
InChIInChI=1S/C11H17NO4S/c13-7-5-8(11(15)16)12(6-7)10(14)9-3-1-2-4-17-9/h7-9,13H,1-6H2,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyRBHMXLZRCFQNEV-MGURRDGZSA-N
MW259.33 g/mol
LogP0.32
Rot. Bonds2

About (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 80593854) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID80593854
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)C1CCCCS1
InChIInChI=1S/C11H17NO4S/c13-7-5-8(11(15)16)12(6-7)10(14)9-3-1-2-4-17-9/h7-9,13H,1-6H2,(H,15,16)/t7?,8-,9?/m0/s1
InChIKeyRBHMXLZRCFQNEV-MGURRDGZSA-N
XLogP0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-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

(2R)-1-(thiane-2-carbonyl)piperidine-2-carboxylic acid
CID 80594026
1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80594408
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2R,4R)-1-(2-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001244
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2R,4R)-1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000761
(2R,4R)-4-hydroxy-1-(2-methylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175592
(2S,4S)-4-hydroxy-1-(thiolan-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80586456
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 80593854) is (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)C1CCCCS1.
What is the InChIKey of (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RBHMXLZRCFQNEV-MGURRDGZSA-N. The full InChI is InChI=1S/C11H17NO4S/c13-7-5-8(11(15)16)12(6-7)10(14)9-3-1-2-4-17-9/h7-9,13H,1-6H2,(H,15,16)/t7?,8-,9?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 80593854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).