(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O4S — CID 65204163

IUPAC(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-5(2)8-9(19-13-12-8)10(16)14-4-6(15)3-7(14)11(17)18/h5-7,15H,3-4H2,1-2H3,(H,17,18)/t6-,7+/m1/s1
InChIKeySCLIWYMIZIBYOA-RQJHMYQMSA-N
MW285.32 g/mol
LogP0.32
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65204163) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65204163
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)c1nnsc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O4S/c1-5(2)8-9(19-13-12-8)10(16)14-4-6(15)3-7(14)11(17)18/h5-7,15H,3-4H2,1-2H3,(H,17,18)/t6-,7+/m1/s1
InChIKeySCLIWYMIZIBYOA-RQJHMYQMSA-N
XLogP0.32
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62794481
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 103575855
(2S,4S)-4-hydroxy-1-(3-pyrrol-1-ylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713875
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103399931
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4S)-1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714564
(2S)-4-hydroxy-1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152228

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 65204163) is (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)c1nnsc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SCLIWYMIZIBYOA-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-5(2)8-9(19-13-12-8)10(16)14-4-6(15)3-7(14)11(17)18/h5-7,15H,3-4H2,1-2H3,(H,17,18)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65204163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).