(4S)-4-aminooxolane-2-carbaldehyde

C5H9NO2 — CID 174912908

IUPAC(4S)-4-aminooxolane-2-carbaldehyde
SMILESN[C@@H]1COC(C=O)C1
InChIInChI=1S/C5H9NO2/c6-4-1-5(2-7)8-3-4/h2,4-5H,1,3,6H2/t4-,5?/m0/s1
InChIKeyDMUILCVZGSIDED-ROLXFIACSA-N
MW115.13 g/mol
LogP-0.70
Rot. Bonds1

About (4S)-4-aminooxolane-2-carbaldehyde

(4S)-4-aminooxolane-2-carbaldehyde (PubChem CID 174912908) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S)-4-aminooxolane-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-aminooxolane-2-carbaldehyde
PubChem CID174912908
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S)-4-aminooxolane-2-carbaldehyde
SMILESN[C@@H]1COC(C=O)C1
InChIInChI=1S/C5H9NO2/c6-4-1-5(2-7)8-3-4/h2,4-5H,1,3,6H2/t4-,5?/m0/s1
InChIKeyDMUILCVZGSIDED-ROLXFIACSA-N
XLogP-0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminooxolane-2-carbaldehyde?
The IUPAC name of (4S)-4-aminooxolane-2-carbaldehyde (CID 174912908) is (4S)-4-aminooxolane-2-carbaldehyde.
What is the SMILES notation for (4S)-4-aminooxolane-2-carbaldehyde?
The canonical SMILES for (4S)-4-aminooxolane-2-carbaldehyde is N[C@@H]1COC(C=O)C1.
What is the InChIKey of (4S)-4-aminooxolane-2-carbaldehyde?
The InChIKey is DMUILCVZGSIDED-ROLXFIACSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-1-5(2-7)8-3-4/h2,4-5H,1,3,6H2/t4-,5?/m0/s1.
What are the key properties of (4S)-4-aminooxolane-2-carbaldehyde?
(4S)-4-aminooxolane-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminooxolane-2-carbaldehyde is sourced from PubChem (CID 174912908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).