1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid

C11H14N2O4 — CID 16770860

IUPAC1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1oncc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-8(6-12-17-7)10(14)13-5-3-2-4-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyYTWKXDBNCGQIPG-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.06
Rot. Bonds2

About 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid

1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 16770860) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID16770860
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1oncc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-8(6-12-17-7)10(14)13-5-3-2-4-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16)
InChIKeyYTWKXDBNCGQIPG-UHFFFAOYSA-N
XLogP1.06
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid (CID 16770860) is 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid is Cc1oncc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is YTWKXDBNCGQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-8(6-12-17-7)10(14)13-5-3-2-4-9(13)11(15)16/h6,9H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 16770860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).