4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

C13H18N2O5 — CID 119251722

IUPAC4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)on1
InChIInChI=1S/C13H18N2O5/c1-8(2)9-7-10(20-14-9)11(16)15-5-3-13(19,4-6-15)12(17)18/h7-8,19H,3-6H2,1-2H3,(H,17,18)
InChIKeyOBRXPNIFYXHKMF-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.85
Rot. Bonds3

About 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119251722) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID119251722
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)on1
InChIInChI=1S/C13H18N2O5/c1-8(2)9-7-10(20-14-9)11(16)15-5-3-13(19,4-6-15)12(17)18/h7-8,19H,3-6H2,1-2H3,(H,17,18)
InChIKeyOBRXPNIFYXHKMF-UHFFFAOYSA-N
XLogP0.85
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid (CID 119251722) is 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is CC(C)c1cc(C(=O)N2CCC(O)(C(=O)O)CC2)on1.
What is the InChIKey of 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is OBRXPNIFYXHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8(2)9-7-10(20-14-9)11(16)15-5-3-13(19,4-6-15)12(17)18/h7-8,19H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).