[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol

C4H9NO2 — CID 139760499

IUPAC[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol
SMILESOC[C@@H]1N[C@@H]1CO
InChIInChI=1S/C4H9NO2/c6-1-3-4(2-7)5-3/h3-7H,1-2H2/t3-,4+
InChIKeyNVZSIOPHWFPCPE-ZXZARUISSA-N
MW103.12 g/mol
LogP-1.69
Rot. Bonds2

About [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol

[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol (PubChem CID 139760499) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol
PubChem CID139760499
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol
SMILESOC[C@@H]1N[C@@H]1CO
InChIInChI=1S/C4H9NO2/c6-1-3-4(2-7)5-3/h3-7H,1-2H2/t3-,4+
InChIKeyNVZSIOPHWFPCPE-ZXZARUISSA-N
XLogP-1.69
TPSA62.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R,5R)-2,4,5-tris(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 15336709
(2S,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 59918213
2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol;hydrochloride
CID 73001219
(2S,3R,4S,5S)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 130818537
(2S,3S,4S,5R)-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 131170181
(2R,3S,4R,5S,6S)-2-(aminomethyl)-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 141199277
(3,5,6-trimethylpiperazin-2-yl)methanol
CID 164899965
2-(hydroxymethyl)-5-(2-hydroxypropyl)pyrrolidine-3,4-diol
CID 85427488
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol (CID 139760499) is [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol is OC[C@@H]1N[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol?
The InChIKey is NVZSIOPHWFPCPE-ZXZARUISSA-N. The full InChI is InChI=1S/C4H9NO2/c6-1-3-4(2-7)5-3/h3-7H,1-2H2/t3-,4+.
What are the key properties of [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol?
[(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol has a molecular weight of 103.12 g/mol, XLogP of -1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(hydroxymethyl)aziridin-2-yl]methanol is sourced from PubChem (CID 139760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).