5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one

C11H18F2N2O2 — CID 106493098

IUPAC5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCN(CC1CC(F)(F)C(=O)O1)C(CN)C1CC1
InChIInChI=1S/C11H18F2N2O2/c1-15(9(5-14)7-2-3-7)6-8-4-11(12,13)10(16)17-8/h7-9H,2-6,14H2,1H3
InChIKeyMYBBZENBQDQGRY-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.61
Rot. Bonds5

About 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one

5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106493098) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106493098
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one
SMILESCN(CC1CC(F)(F)C(=O)O1)C(CN)C1CC1
InChIInChI=1S/C11H18F2N2O2/c1-15(9(5-14)7-2-3-7)6-8-4-11(12,13)10(16)17-8/h7-9H,2-6,14H2,1H3
InChIKeyMYBBZENBQDQGRY-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one with MolForge

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Related Compounds

5-[[2-(Cyclopropylmethoxy)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 105678254
3,3-Difluoro-5-[[(1-methylcyclopropyl)methylamino]methyl]oxolan-2-one
CID 105694382
5-[[(1-Ethylcyclopropyl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 105694717
5-[[(2,2-Dimethylcyclopropyl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 105754595
5-[[(2-Ethylcyclopropyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105755364
3,3-Difluoro-5-[[(2-propylcyclopropyl)amino]methyl]oxolan-2-one
CID 105775618
5-[(2-Cyclopropylpropan-2-ylamino)methyl]-3,3-difluorooxolan-2-one
CID 105776313
5-[[(1-Ethoxy-3-methylbutan-2-yl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105807258
3,3-Difluoro-5-[[1-(oxan-4-yl)ethylamino]methyl]oxolan-2-one
CID 105808898
5-[[2-[2-(Dimethylamino)ethoxy]ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 105911460
5-[[2-[Cyclopropyl(methyl)amino]propylamino]methyl]-3,3-difluorooxolan-2-one
CID 105957575
5-[[2-[Ethyl(propyl)amino]ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 105961537

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one (CID 106493098) is 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one is CN(CC1CC(F)(F)C(=O)O1)C(CN)C1CC1.
What is the InChIKey of 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is MYBBZENBQDQGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-15(9(5-14)7-2-3-7)6-8-4-11(12,13)10(16)17-8/h7-9H,2-6,14H2,1H3.
What are the key properties of 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one?
5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 248.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106493098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).