(5S)-5-aminooxan-3-one

C5H9NO2 — CID 129203799

IUPAC(5S)-5-aminooxan-3-one
SMILESN[C@@H]1COCC(=O)C1
InChIInChI=1S/C5H9NO2/c6-4-1-5(7)3-8-2-4/h4H,1-3,6H2/t4-/m0/s1
InChIKeyPJZHGCUHRYJWSX-BYPYZUCNSA-N
MW115.13 g/mol
LogP-0.70
Rot. Bonds

About (5S)-5-aminooxan-3-one

(5S)-5-aminooxan-3-one (PubChem CID 129203799) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (5S)-5-aminooxan-3-one.

Molecular Properties

Compound Name(5S)-5-aminooxan-3-one
PubChem CID129203799
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(5S)-5-aminooxan-3-one
SMILESN[C@@H]1COCC(=O)C1
InChIInChI=1S/C5H9NO2/c6-4-1-5(7)3-8-2-4/h4H,1-3,6H2/t4-/m0/s1
InChIKeyPJZHGCUHRYJWSX-BYPYZUCNSA-N
XLogP-0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-aminooxan-3-one?
The IUPAC name of (5S)-5-aminooxan-3-one (CID 129203799) is (5S)-5-aminooxan-3-one.
What is the SMILES notation for (5S)-5-aminooxan-3-one?
The canonical SMILES for (5S)-5-aminooxan-3-one is N[C@@H]1COCC(=O)C1.
What is the InChIKey of (5S)-5-aminooxan-3-one?
The InChIKey is PJZHGCUHRYJWSX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-1-5(7)3-8-2-4/h4H,1-3,6H2/t4-/m0/s1.
What are the key properties of (5S)-5-aminooxan-3-one?
(5S)-5-aminooxan-3-one has a molecular weight of 115.13 g/mol, XLogP of -0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-aminooxan-3-one is sourced from PubChem (CID 129203799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).