(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H13NO4S — CID 79802956

IUPAC(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cscc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-6-4-17-5-8(6)10(14)12-3-7(13)2-9(12)11(15)16/h4-5,7,9,13H,2-3H2,1H3,(H,15,16)/t7-,9-/m0/s1
InChIKeySVGHAZKTODQRMO-CBAPKCEASA-N
MW255.29 g/mol
LogP0.72
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 79802956) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID79802956
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cscc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H13NO4S/c1-6-4-17-5-8(6)10(14)12-3-7(13)2-9(12)11(15)16/h4-5,7,9,13H,2-3H2,1H3,(H,15,16)/t7-,9-/m0/s1
InChIKeySVGHAZKTODQRMO-CBAPKCEASA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103399931
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
(2S,4R)-1-(3,6-dimethylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113439181
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 104772709
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401
4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
(2S,4S)-4-hydroxy-1-(2,3,5-triiodobenzoyl)pyrrolidine-2-carboxylic acid
CID 64713169

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 79802956) is (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cscc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SVGHAZKTODQRMO-CBAPKCEASA-N. The full InChI is InChI=1S/C11H13NO4S/c1-6-4-17-5-8(6)10(14)12-3-7(13)2-9(12)11(15)16/h4-5,7,9,13H,2-3H2,1H3,(H,15,16)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).