2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C12H17N3O4 — CID 106744445

IUPAC2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCc1ccon1
InChIInChI=1S/C12H17N3O4/c1-8-6-9(11(16)17)2-4-15(8)12(18)13-7-10-3-5-19-14-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyXLOSEBIGFONRDC-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.07
Rot. Bonds3

About 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid

2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106744445) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106744445
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NCc1ccon1
InChIInChI=1S/C12H17N3O4/c1-8-6-9(11(16)17)2-4-15(8)12(18)13-7-10-3-5-19-14-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyXLOSEBIGFONRDC-UHFFFAOYSA-N
XLogP1.07
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 106744445) is 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NCc1ccon1.
What is the InChIKey of 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is XLOSEBIGFONRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-6-9(11(16)17)2-4-15(8)12(18)13-7-10-3-5-19-14-10/h3,5,8-9H,2,4,6-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).