(3R)-4-azidobutane-1,3-diol

C4H9N3O2 — CID 130698557

IUPAC(3R)-4-azidobutane-1,3-diol
SMILES[N-]=[N+]=NC[C@H](O)CCO
InChIInChI=1S/C4H9N3O2/c5-7-6-3-4(9)1-2-8/h4,8-9H,1-3H2/t4-/m1/s1
InChIKeyMKOAQYUZUSTOFJ-SCSAIBSYSA-N
MW131.13 g/mol
LogP0.04
Rot. Bonds4

About (3R)-4-azidobutane-1,3-diol

(3R)-4-azidobutane-1,3-diol (PubChem CID 130698557) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3R)-4-azidobutane-1,3-diol.

Molecular Properties

Compound Name(3R)-4-azidobutane-1,3-diol
PubChem CID130698557
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name(3R)-4-azidobutane-1,3-diol
SMILES[N-]=[N+]=NC[C@H](O)CCO
InChIInChI=1S/C4H9N3O2/c5-7-6-3-4(9)1-2-8/h4,8-9H,1-3H2/t4-/m1/s1
InChIKeyMKOAQYUZUSTOFJ-SCSAIBSYSA-N
XLogP0.04
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-azidobutane-1,3-diol?
The IUPAC name of (3R)-4-azidobutane-1,3-diol (CID 130698557) is (3R)-4-azidobutane-1,3-diol.
What is the SMILES notation for (3R)-4-azidobutane-1,3-diol?
The canonical SMILES for (3R)-4-azidobutane-1,3-diol is [N-]=[N+]=NC[C@H](O)CCO.
What is the InChIKey of (3R)-4-azidobutane-1,3-diol?
The InChIKey is MKOAQYUZUSTOFJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9N3O2/c5-7-6-3-4(9)1-2-8/h4,8-9H,1-3H2/t4-/m1/s1.
What are the key properties of (3R)-4-azidobutane-1,3-diol?
(3R)-4-azidobutane-1,3-diol has a molecular weight of 131.13 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-azidobutane-1,3-diol is sourced from PubChem (CID 130698557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).