5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H16N2O5 — CID 107427598

IUPAC5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(C(=O)C2CC(C(=O)O)=NO2)CCC1O
InChIInChI=1S/C11H16N2O5/c1-6-5-13(3-2-8(6)14)10(15)9-4-7(11(16)17)12-18-9/h6,8-9,14H,2-5H2,1H3,(H,16,17)
InChIKeyOQCHTYPOKLPCKX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.55
Rot. Bonds2

About 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427598) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427598
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC1CN(C(=O)C2CC(C(=O)O)=NO2)CCC1O
InChIInChI=1S/C11H16N2O5/c1-6-5-13(3-2-8(6)14)10(15)9-4-7(11(16)17)12-18-9/h6,8-9,14H,2-5H2,1H3,(H,16,17)
InChIKeyOQCHTYPOKLPCKX-UHFFFAOYSA-N
XLogP-0.55
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427598) is 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC1CN(C(=O)C2CC(C(=O)O)=NO2)CCC1O.
What is the InChIKey of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is OQCHTYPOKLPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6-5-13(3-2-8(6)14)10(15)9-4-7(11(16)17)12-18-9/h6,8-9,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).