3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid

C11H18N2O3 — CID 70072237

IUPAC3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(CC1CC=NO1)C1CCNCC1
InChIInChI=1S/C11H18N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h6,8-10,12H,1-5,7H2,(H,14,15)
InChIKeyXLDFCXYPJMTIFV-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.85
Rot. Bonds4

About 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid

3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid (PubChem CID 70072237) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid
PubChem CID70072237
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(CC1CC=NO1)C1CCNCC1
InChIInChI=1S/C11H18N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h6,8-10,12H,1-5,7H2,(H,14,15)
InChIKeyXLDFCXYPJMTIFV-UHFFFAOYSA-N
XLogP0.85
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid (CID 70072237) is 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid is O=C(O)C(CC1CC=NO1)C1CCNCC1.
What is the InChIKey of 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid?
The InChIKey is XLDFCXYPJMTIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h6,8-10,12H,1-5,7H2,(H,14,15).
What are the key properties of 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid?
3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,2-oxazol-5-yl)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 70072237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).