1-(3-aminooxolan-2-yl)-2-methoxyethanone

C7H13NO3 — CID 165462549

IUPAC1-(3-aminooxolan-2-yl)-2-methoxyethanone
SMILESCOCC(=O)C1OCCC1N
InChIInChI=1S/C7H13NO3/c1-10-4-6(9)7-5(8)2-3-11-7/h5,7H,2-4,8H2,1H3
InChIKeyUJYPBEIOSVPKHJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.68
Rot. Bonds3

About 1-(3-aminooxolan-2-yl)-2-methoxyethanone

1-(3-aminooxolan-2-yl)-2-methoxyethanone (PubChem CID 165462549) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(3-aminooxolan-2-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-2-yl)-2-methoxyethanone
PubChem CID165462549
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(3-aminooxolan-2-yl)-2-methoxyethanone
SMILESCOCC(=O)C1OCCC1N
InChIInChI=1S/C7H13NO3/c1-10-4-6(9)7-5(8)2-3-11-7/h5,7H,2-4,8H2,1H3
InChIKeyUJYPBEIOSVPKHJ-UHFFFAOYSA-N
XLogP-0.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-2-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-aminooxolan-2-yl)-2-methoxyethanone (CID 165462549) is 1-(3-aminooxolan-2-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-aminooxolan-2-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-aminooxolan-2-yl)-2-methoxyethanone is COCC(=O)C1OCCC1N.
What is the InChIKey of 1-(3-aminooxolan-2-yl)-2-methoxyethanone?
The InChIKey is UJYPBEIOSVPKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-4-6(9)7-5(8)2-3-11-7/h5,7H,2-4,8H2,1H3.
What are the key properties of 1-(3-aminooxolan-2-yl)-2-methoxyethanone?
1-(3-aminooxolan-2-yl)-2-methoxyethanone has a molecular weight of 159.18 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-2-yl)-2-methoxyethanone is sourced from PubChem (CID 165462549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).