(4S)-4-aminooxolan-3-one

C4H7NO2 — CID 59107733

IUPAC(4S)-4-aminooxolan-3-one
SMILESN[C@H]1COCC1=O
InChIInChI=1S/C4H7NO2/c5-3-1-7-2-4(3)6/h3H,1-2,5H2/t3-/m0/s1
InChIKeyZONXMMDPDDVDDH-VKHMYHEASA-N
MW101.11 g/mol
LogP-1.09
Rot. Bonds

About (4S)-4-aminooxolan-3-one

(4S)-4-aminooxolan-3-one (PubChem CID 59107733) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is (4S)-4-aminooxolan-3-one.

Molecular Properties

Compound Name(4S)-4-aminooxolan-3-one
PubChem CID59107733
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name(4S)-4-aminooxolan-3-one
SMILESN[C@H]1COCC1=O
InChIInChI=1S/C4H7NO2/c5-3-1-7-2-4(3)6/h3H,1-2,5H2/t3-/m0/s1
InChIKeyZONXMMDPDDVDDH-VKHMYHEASA-N
XLogP-1.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminooxolan-3-one?
The IUPAC name of (4S)-4-aminooxolan-3-one (CID 59107733) is (4S)-4-aminooxolan-3-one.
What is the SMILES notation for (4S)-4-aminooxolan-3-one?
The canonical SMILES for (4S)-4-aminooxolan-3-one is N[C@H]1COCC1=O.
What is the InChIKey of (4S)-4-aminooxolan-3-one?
The InChIKey is ZONXMMDPDDVDDH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO2/c5-3-1-7-2-4(3)6/h3H,1-2,5H2/t3-/m0/s1.
What are the key properties of (4S)-4-aminooxolan-3-one?
(4S)-4-aminooxolan-3-one has a molecular weight of 101.11 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminooxolan-3-one is sourced from PubChem (CID 59107733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).