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

C10H12N2O4S — CID 65199509

IUPAC(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CC(O)C[C@H]2C(=O)O)cs1
InChIInChI=1S/C10H12N2O4S/c1-5-11-7(4-17-5)9(14)12-3-6(13)2-8(12)10(15)16/h4,6,8,13H,2-3H2,1H3,(H,15,16)/t6?,8-/m0/s1
InChIKeyZZTRGIAAQGHLDO-XDKWHASVSA-N
MW256.28 g/mol
LogP0.11
Rot. Bonds2

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

(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65199509) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65199509
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1nc(C(=O)N2CC(O)C[C@H]2C(=O)O)cs1
InChIInChI=1S/C10H12N2O4S/c1-5-11-7(4-17-5)9(14)12-3-6(13)2-8(12)10(15)16/h4,6,8,13H,2-3H2,1H3,(H,15,16)/t6?,8-/m0/s1
InChIKeyZZTRGIAAQGHLDO-XDKWHASVSA-N
XLogP0.11
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199852
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
(2R,4R)-4-hydroxy-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000253
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214873
4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S)-4-hydroxy-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 61153698
(2R,4R)-4-hydroxy-1-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 79000619
(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153426
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103399931

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 65199509) is (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cc1nc(C(=O)N2CC(O)C[C@H]2C(=O)O)cs1.
What is the InChIKey of (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZZTRGIAAQGHLDO-XDKWHASVSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-5-11-7(4-17-5)9(14)12-3-6(13)2-8(12)10(15)16/h4,6,8,13H,2-3H2,1H3,(H,15,16)/t6?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65199509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).