5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid

C15H26N2O4 — CID 83199780

IUPAC5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C(=O)NCC1CCC(C(=O)O)O1)C1CCCNC1
InChIInChI=1S/C15H26N2O4/c1-15(2,10-4-3-7-16-8-10)14(20)17-9-11-5-6-12(21-11)13(18)19/h10-12,16H,3-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWFBAYSPICGPUOA-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.76
Rot. Bonds5

About 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 83199780) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID83199780
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)(C(=O)NCC1CCC(C(=O)O)O1)C1CCCNC1
InChIInChI=1S/C15H26N2O4/c1-15(2,10-4-3-7-16-8-10)14(20)17-9-11-5-6-12(21-11)13(18)19/h10-12,16H,3-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWFBAYSPICGPUOA-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid (CID 83199780) is 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid is CC(C)(C(=O)NCC1CCC(C(=O)O)O1)C1CCCNC1.
What is the InChIKey of 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is WFBAYSPICGPUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,10-4-3-7-16-8-10)14(20)17-9-11-5-6-12(21-11)13(18)19/h10-12,16H,3-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 83199780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).