3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid

C13H19N3O3S — CID 122018345

IUPAC3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCc1cnc(C2CCN(C(=O)NCCC(=O)O)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-9-8-15-12(20-9)10-3-6-16(7-4-10)13(19)14-5-2-11(17)18/h8,10H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyJEKCTOQAGAEEGF-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.82
Rot. Bonds4

About 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid

3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018345) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID122018345
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCc1cnc(C2CCN(C(=O)NCCC(=O)O)CC2)s1
InChIInChI=1S/C13H19N3O3S/c1-9-8-15-12(20-9)10-3-6-16(7-4-10)13(19)14-5-2-11(17)18/h8,10H,2-7H2,1H3,(H,14,19)(H,17,18)
InChIKeyJEKCTOQAGAEEGF-UHFFFAOYSA-N
XLogP1.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]propanoic acid
CID 122018365
(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006333
3-[[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]amino]propanoic acid
CID 122019443
3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 114411947
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
CID 71134865
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006327
3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 114799133
3-[[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 122018174
2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167954953
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid (CID 122018345) is 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid is Cc1cnc(C2CCN(C(=O)NCCC(=O)O)CC2)s1.
What is the InChIKey of 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is JEKCTOQAGAEEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-8-15-12(20-9)10-3-6-16(7-4-10)13(19)14-5-2-11(17)18/h8,10H,2-7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid?
3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 297.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).