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

C11H14N2O4S — CID 65199852

IUPAC4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2csc(C)n2)C1
InChIInChI=1S/C11H14N2O4S/c1-6-12-8(5-18-6)10(14)13-4-7(17-2)3-9(13)11(15)16/h5,7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyYWBVFDIWFLDCSK-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.77
Rot. Bonds3

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

4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65199852) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65199852
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2csc(C)n2)C1
InChIInChI=1S/C11H14N2O4S/c1-6-12-8(5-18-6)10(14)13-4-7(17-2)3-9(13)11(15)16/h5,7,9H,3-4H2,1-2H3,(H,15,16)
InChIKeyYWBVFDIWFLDCSK-UHFFFAOYSA-N
XLogP0.77
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 66391047
1-(5-bromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359709
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
1-(7-chloroquinoline-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534359
1-(4-chloro-1H-pyrrole-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43208944
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325
4-methoxy-1-[3-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 120534347
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 65199852) is 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2csc(C)n2)C1.
What is the InChIKey of 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YWBVFDIWFLDCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6-12-8(5-18-6)10(14)13-4-7(17-2)3-9(13)11(15)16/h5,7,9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65199852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).