2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid

C13H18N2O5 — CID 106741827

IUPAC2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(OCC(=O)N2CCC(C(=O)O)CC2C)no1
InChIInChI=1S/C13H18N2O5/c1-8-5-10(13(17)18)3-4-15(8)12(16)7-19-11-6-9(2)20-14-11/h6,8,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyQTXQEDHFXMUJIJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid

2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid (PubChem CID 106741827) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
PubChem CID106741827
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
SMILESCc1cc(OCC(=O)N2CCC(C(=O)O)CC2C)no1
InChIInChI=1S/C13H18N2O5/c1-8-5-10(13(17)18)3-4-15(8)12(16)7-19-11-6-9(2)20-14-11/h6,8,10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyQTXQEDHFXMUJIJ-UHFFFAOYSA-N
XLogP1.07
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid (CID 106741827) is 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid is Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2C)no1.
What is the InChIKey of 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QTXQEDHFXMUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-5-10(13(17)18)3-4-15(8)12(16)7-19-11-6-9(2)20-14-11/h6,8,10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106741827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).