(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C9H14N2O4S — CID 61161522

IUPAC(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CC(O)CN1
InChIInChI=1S/C9H14N2O4S/c12-5-1-6(10-2-5)8(13)11-4-16-3-7(11)9(14)15/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1
InChIKeyPELMHDMHOIEZRP-AHXFUIDQSA-N
MW246.29 g/mol
LogP-1.30
Rot. Bonds2

About (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61161522) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61161522
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1CC(O)CN1
InChIInChI=1S/C9H14N2O4S/c12-5-1-6(10-2-5)8(13)11-4-16-3-7(11)9(14)15/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1
InChIKeyPELMHDMHOIEZRP-AHXFUIDQSA-N
XLogP-1.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[(2S,5S)-5-hydroxypyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 174580522
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780201
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114084097
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
5-(4-hydroxypyrrolidine-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344963
2-amino-2-(hydroxymethyl)propane-1,3-diol;(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 44625960
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119807396
(4R)-3-[(2S)-2,3,3,4,4-pentadeuterio-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 131709071

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61161522) is (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)C1CC(O)CN1.
What is the InChIKey of (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PELMHDMHOIEZRP-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H14N2O4S/c12-5-1-6(10-2-5)8(13)11-4-16-3-7(11)9(14)15/h5-7,10,12H,1-4H2,(H,14,15)/t5?,6?,7-/m0/s1.
What are the key properties of (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).