(2S)-2-azido-3-methylbutan-1-ol

C5H11N3O — CID 102210265

IUPAC(2S)-2-azido-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O/c1-4(2)5(3-9)7-8-6/h4-5,9H,3H2,1-2H3/t5-/m1/s1
InChIKeyLUSQIVAUEJTSCO-RXMQYKEDSA-N
MW129.16 g/mol
LogP1.31
Rot. Bonds3

About (2S)-2-azido-3-methylbutan-1-ol

(2S)-2-azido-3-methylbutan-1-ol (PubChem CID 102210265) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-azido-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-azido-3-methylbutan-1-ol
PubChem CID102210265
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name(2S)-2-azido-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N=[N+]=[N-]
InChIInChI=1S/C5H11N3O/c1-4(2)5(3-9)7-8-6/h4-5,9H,3H2,1-2H3/t5-/m1/s1
InChIKeyLUSQIVAUEJTSCO-RXMQYKEDSA-N
XLogP1.31
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze (2S)-2-azido-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-azido-3-methylbutan-1-ol (CID 102210265) is (2S)-2-azido-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-azido-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-azido-3-methylbutan-1-ol is CC(C)[C@@H](CO)N=[N+]=[N-].
What is the InChIKey of (2S)-2-azido-3-methylbutan-1-ol?
The InChIKey is LUSQIVAUEJTSCO-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4(2)5(3-9)7-8-6/h4-5,9H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2-azido-3-methylbutan-1-ol?
(2S)-2-azido-3-methylbutan-1-ol has a molecular weight of 129.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3-methylbutan-1-ol is sourced from PubChem (CID 102210265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).