3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid

C15H14N2O3S — CID 154960214

IUPAC3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C1CCN(C(=O)O)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-13-6-7-17(15(19)20)12(13)8-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,19,20)
InChIKeyJJTGPROIVSFBBL-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.67
Rot. Bonds3

About 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid

3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 154960214) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
PubChem CID154960214
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C1CCN(C(=O)O)C1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c18-13-6-7-17(15(19)20)12(13)8-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,19,20)
InChIKeyJJTGPROIVSFBBL-UHFFFAOYSA-N
XLogP2.67
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471114
4-methyl-2-[5-oxo-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3-oxazolidin-3-yl]pentanoic acid
CID 10199419
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
(3S)-5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95123541
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid (CID 154960214) is 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid is O=C1CCN(C(=O)O)C1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is JJTGPROIVSFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13-6-7-17(15(19)20)12(13)8-11-9-21-14(16-11)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,19,20).
What are the key properties of 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid?
3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154960214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).