[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium

C5H11NO2 — CID 59312267

IUPAC[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium
SMILES[CH2-][NH2+]C1COC[C@H]1O
InChIInChI=1S/C5H11NO2/c1-6-4-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4?,5-/m1/s1
InChIKeyKYAGQCCBQPXVMI-BRJRFNKRSA-N
MW117.15 g/mol
LogP-1.90
Rot. Bonds1

About [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium

[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium (PubChem CID 59312267) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium.

Molecular Properties

Compound Name[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium
PubChem CID59312267
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium
SMILES[CH2-][NH2+]C1COC[C@H]1O
InChIInChI=1S/C5H11NO2/c1-6-4-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4?,5-/m1/s1
InChIKeyKYAGQCCBQPXVMI-BRJRFNKRSA-N
XLogP-1.90
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium?
The IUPAC name of [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium (CID 59312267) is [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium.
What is the SMILES notation for [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium?
The canonical SMILES for [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium is [CH2-][NH2+]C1COC[C@H]1O.
What is the InChIKey of [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium?
The InChIKey is KYAGQCCBQPXVMI-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-4-2-8-3-5(4)7/h4-5,7H,1-3,6H2/t4?,5-/m1/s1.
What are the key properties of [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium?
[(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium has a molecular weight of 117.15 g/mol, XLogP of -1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-hydroxyoxolan-3-yl]-methanidylazanium is sourced from PubChem (CID 59312267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).