3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

C14H21N3O3S — CID 62212389

IUPAC3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1csc(CNC(=O)N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-12(16-10)8-15-14(20)17-7-3-2-4-11(17)5-6-13(18)19/h9,11H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyCXUNHMNAHVINKG-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.38
Rot. Bonds5

About 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62212389) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62212389
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1csc(CNC(=O)N2CCCCC2CCC(=O)O)n1
InChIInChI=1S/C14H21N3O3S/c1-10-9-21-12(16-10)8-15-14(20)17-7-3-2-4-11(17)5-6-13(18)19/h9,11H,2-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyCXUNHMNAHVINKG-UHFFFAOYSA-N
XLogP2.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126434676
2-[[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380362
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522
3-[1-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 120536762
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72844101
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
3-[(2R)-1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]propanoic acid
CID 126450775
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid (CID 62212389) is 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid is Cc1csc(CNC(=O)N2CCCCC2CCC(=O)O)n1.
What is the InChIKey of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is CXUNHMNAHVINKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-9-21-12(16-10)8-15-14(20)17-7-3-2-4-11(17)5-6-13(18)19/h9,11H,2-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 311.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62212389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).