3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one

C10H18N2O2 — CID 79992576

IUPAC3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one
SMILESCC1CC(N)CN(C2CCOC2=O)C1
InChIInChI=1S/C10H18N2O2/c1-7-4-8(11)6-12(5-7)9-2-3-14-10(9)13/h7-9H,2-6,11H2,1H3
InChIKeyWGCAUBGTKUDFNQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.03
Rot. Bonds1

About 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one

3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one (PubChem CID 79992576) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one
PubChem CID79992576
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one
SMILESCC1CC(N)CN(C2CCOC2=O)C1
InChIInChI=1S/C10H18N2O2/c1-7-4-8(11)6-12(5-7)9-2-3-14-10(9)13/h7-9H,2-6,11H2,1H3
InChIKeyWGCAUBGTKUDFNQ-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one?
The IUPAC name of 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one (CID 79992576) is 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one is CC1CC(N)CN(C2CCOC2=O)C1.
What is the InChIKey of 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one?
The InChIKey is WGCAUBGTKUDFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-4-8(11)6-12(5-7)9-2-3-14-10(9)13/h7-9H,2-6,11H2,1H3.
What are the key properties of 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one?
3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylpiperidin-1-yl)oxolan-2-one is sourced from PubChem (CID 79992576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).