3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid

C11H16N2O2S — CID 115043814

IUPAC3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCN1CCCC1c1csc(CCC(=O)O)n1
InChIInChI=1S/C11H16N2O2S/c1-13-6-2-3-9(13)8-7-16-10(12-8)4-5-11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyLTBKPPJRPYGPTN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.93
Rot. Bonds4

About 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid

3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid (PubChem CID 115043814) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
PubChem CID115043814
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
SMILESCN1CCCC1c1csc(CCC(=O)O)n1
InChIInChI=1S/C11H16N2O2S/c1-13-6-2-3-9(13)8-7-16-10(12-8)4-5-11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyLTBKPPJRPYGPTN-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115035664
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
4-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965689
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
3-(4-bromo-1,3-thiazol-2-yl)propanoic acid
CID 83692808
2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid
CID 95827134
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
hexanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 137374704
2-[3-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081792
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid (CID 115043814) is 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid is CN1CCCC1c1csc(CCC(=O)O)n1.
What is the InChIKey of 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is LTBKPPJRPYGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-13-6-2-3-9(13)8-7-16-10(12-8)4-5-11(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid?
3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 240.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 115043814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).