1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid

C11H14N2O4 — CID 110835173

IUPAC1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H14N2O4/c1-7-6-12-9(17-7)10(14)13-4-2-8(3-5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyMDVMEGXZYSJJIA-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds2

About 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid

1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 110835173) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID110835173
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cnc(C(=O)N2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C11H14N2O4/c1-7-6-12-9(17-7)10(14)13-4-2-8(3-5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeyMDVMEGXZYSJJIA-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid (CID 110835173) is 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid is Cc1cnc(C(=O)N2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is MDVMEGXZYSJJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-6-12-9(17-7)10(14)13-4-2-8(3-5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid?
1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazole-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110835173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).