2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid

C13H21NO4 — CID 81324861

IUPAC2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCC1CCC(C(=O)N2CCCCC2CC(=O)O)O1
InChIInChI=1S/C13H21NO4/c1-9-5-6-11(18-9)13(17)14-7-3-2-4-10(14)8-12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyLPGOPUDPJRXIAH-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 81324861) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID81324861
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCC1CCC(C(=O)N2CCCCC2CC(=O)O)O1
InChIInChI=1S/C13H21NO4/c1-9-5-6-11(18-9)13(17)14-7-3-2-4-10(14)8-12(15)16/h9-11H,2-8H2,1H3,(H,15,16)
InChIKeyLPGOPUDPJRXIAH-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid (CID 81324861) is 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid is CC1CCC(C(=O)N2CCCCC2CC(=O)O)O1.
What is the InChIKey of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is LPGOPUDPJRXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-5-6-11(18-9)13(17)14-7-3-2-4-10(14)8-12(15)16/h9-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyloxolane-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 81324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).