1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one

C10H19NO3 — CID 116579573

IUPAC1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H19NO3/c1-8(3-5-13-2)9(12)10(11)4-6-14-7-10/h8H,3-7,11H2,1-2H3
InChIKeyQVAAGEIWKIYTPZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.35
Rot. Bonds5

About 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one

1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one (PubChem CID 116579573) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
PubChem CID116579573
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(N)CCOC1
InChIInChI=1S/C10H19NO3/c1-8(3-5-13-2)9(12)10(11)4-6-14-7-10/h8H,3-7,11H2,1-2H3
InChIKeyQVAAGEIWKIYTPZ-UHFFFAOYSA-N
XLogP0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopropyl)-4-methoxy-2-methylbutan-1-one
CID 116576587
1-[4-(aminomethyl)oxan-4-yl]-4-methoxy-2-methylbutan-1-one
CID 116603098
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
3-amino-N-(3-methoxy-2-methylpropyl)oxolane-3-carboxamide
CID 64891602
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
1-[1-(aminomethyl)cyclohexyl]-4-methoxy-2-methylbutan-1-one
CID 116600634
4-amino-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82948017
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
CID 116578997
(3S)-3-aminooxolane-3-carboxamide
CID 96640573
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one (CID 116579573) is 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one is COCCC(C)C(=O)C1(N)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one?
The InChIKey is QVAAGEIWKIYTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(3-5-13-2)9(12)10(11)4-6-14-7-10/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one?
1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-4-methoxy-2-methylbutan-1-one is sourced from PubChem (CID 116579573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).