3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid

C13H23NO4 — CID 162685038

IUPAC3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)10-5-4-7-14(9-10)8-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyAHVRMIJHKCUMFA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds4

About 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid

3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid (PubChem CID 162685038) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid
PubChem CID162685038
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)10-5-4-7-14(9-10)8-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyAHVRMIJHKCUMFA-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid (CID 162685038) is 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid is CC(C)(C)OC(=O)C1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid?
The InChIKey is AHVRMIJHKCUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)10-5-4-7-14(9-10)8-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid?
3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 162685038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).