3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid

C13H20N2O3 — CID 62216991

IUPAC3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
SMILESCc1cc(CN2CCCCC2CCC(=O)O)on1
InChIInChI=1S/C13H20N2O3/c1-10-8-12(18-14-10)9-15-7-3-2-4-11(15)5-6-13(16)17/h8,11H,2-7,9H2,1H3,(H,16,17)
InChIKeyBKYKXMJXXGYTFW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.20
Rot. Bonds5

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

3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 62216991) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
PubChem CID62216991
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
SMILESCc1cc(CN2CCCCC2CCC(=O)O)on1
InChIInChI=1S/C13H20N2O3/c1-10-8-12(18-14-10)9-15-7-3-2-4-11(15)5-6-13(16)17/h8,11H,2-7,9H2,1H3,(H,16,17)
InChIKeyBKYKXMJXXGYTFW-UHFFFAOYSA-N
XLogP2.20
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
3-[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 102845006
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129
3-[1-[(4-bromothiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 62215668
3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
tert-butyl (2R)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80709145
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 64772222

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid (CID 62216991) is 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid is Cc1cc(CN2CCCCC2CCC(=O)O)on1.
What is the InChIKey of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is BKYKXMJXXGYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-12(18-14-10)9-15-7-3-2-4-11(15)5-6-13(16)17/h8,11H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid?
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).