3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid

C13H18N2O4 — CID 66334339

IUPAC3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1cnoc1C(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9-7-14-19-12(9)13(18)15-6-2-3-10(8-15)4-5-11(16)17/h7,10H,2-6,8H2,1H3,(H,16,17)
InChIKeyBCEUKEFRPLVOSV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.70
Rot. Bonds4

About 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 66334339) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID66334339
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESCc1cnoc1C(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-9-7-14-19-12(9)13(18)15-6-2-3-10(8-15)4-5-11(16)17/h7,10H,2-6,8H2,1H3,(H,16,17)
InChIKeyBCEUKEFRPLVOSV-UHFFFAOYSA-N
XLogP1.70
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335266
3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[1-[2-methyl-5-(trifluoromethyl)benzoyl]piperidin-3-yl]propanoic acid
CID 91795487
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483357

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid (CID 66334339) is 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid is Cc1cnoc1C(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is BCEUKEFRPLVOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-7-14-19-12(9)13(18)15-6-2-3-10(8-15)4-5-11(16)17/h7,10H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 66334339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).