1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid

C13H22N2O4 — CID 64892803

IUPAC1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C13H22N2O4/c1-2-12(11(17)18)3-6-15(7-4-12)10(16)13(14)5-8-19-9-13/h2-9,14H2,1H3,(H,17,18)
InChIKeyQWMMHOUSPQOSHF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.21
Rot. Bonds3

About 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid

1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 64892803) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID64892803
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C13H22N2O4/c1-2-12(11(17)18)3-6-15(7-4-12)10(16)13(14)5-8-19-9-13/h2-9,14H2,1H3,(H,17,18)
InChIKeyQWMMHOUSPQOSHF-UHFFFAOYSA-N
XLogP0.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid (CID 64892803) is 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is QWMMHOUSPQOSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-12(11(17)18)3-6-15(7-4-12)10(16)13(14)5-8-19-9-13/h2-9,14H2,1H3,(H,17,18).
What are the key properties of 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid?
1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 64892803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).