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

C12H16N2O3S — CID 106977186

IUPAC2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cscn1
InChIInChI=1S/C12H16N2O3S/c1-2-4-12(11(16)17)5-3-6-14(12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeySYQVKGUFTHHIGQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.00
Rot. Bonds4

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

2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106977186) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106977186
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cscn1
InChIInChI=1S/C12H16N2O3S/c1-2-4-12(11(16)17)5-3-6-14(12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeySYQVKGUFTHHIGQ-UHFFFAOYSA-N
XLogP2.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107517270
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 167988294
4-ethyl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 63125222
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977153
1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 106977186) is 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1cscn1.
What is the InChIKey of 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SYQVKGUFTHHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-4-12(11(16)17)5-3-6-14(12)10(15)9-7-18-8-13-9/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).