(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol

C4H11N3O2 — CID 121480659

IUPAC(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)/N=N/N
InChIInChI=1S/C4H11N3O2/c1-9-3-4(2-8)6-7-5/h4,8H,2-3H2,1H3,(H2,5,6)/t4-/m0/s1
InChIKeyFNWXXKREABKKID-BYPYZUCNSA-N
MW133.15 g/mol
LogP-0.68
Rot. Bonds4

About (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol

(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol (PubChem CID 121480659) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol
PubChem CID121480659
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)/N=N/N
InChIInChI=1S/C4H11N3O2/c1-9-3-4(2-8)6-7-5/h4,8H,2-3H2,1H3,(H2,5,6)/t4-/m0/s1
InChIKeyFNWXXKREABKKID-BYPYZUCNSA-N
XLogP-0.68
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol?
The IUPAC name of (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol (CID 121480659) is (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol?
The canonical SMILES for (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol is COC[C@H](CO)/N=N/N.
What is the InChIKey of (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol?
The InChIKey is FNWXXKREABKKID-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11N3O2/c1-9-3-4(2-8)6-7-5/h4,8H,2-3H2,1H3,(H2,5,6)/t4-/m0/s1.
What are the key properties of (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol?
(2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol has a molecular weight of 133.15 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminodiazenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 121480659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).