(2S)-5-azidopentane-1,2-diol

C5H11N3O2 — CID 22854627

IUPAC(2S)-5-azidopentane-1,2-diol
SMILES[N-]=[N+]=NCCC[C@H](O)CO
InChIInChI=1S/C5H11N3O2/c6-8-7-3-1-2-5(10)4-9/h5,9-10H,1-4H2/t5-/m0/s1
InChIKeyNMNPDGWREYAMNE-YFKPBYRVSA-N
MW145.16 g/mol
LogP0.43
Rot. Bonds5

About (2S)-5-azidopentane-1,2-diol

(2S)-5-azidopentane-1,2-diol (PubChem CID 22854627) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S)-5-azidopentane-1,2-diol.

Molecular Properties

Compound Name(2S)-5-azidopentane-1,2-diol
PubChem CID22854627
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(2S)-5-azidopentane-1,2-diol
SMILES[N-]=[N+]=NCCC[C@H](O)CO
InChIInChI=1S/C5H11N3O2/c6-8-7-3-1-2-5(10)4-9/h5,9-10H,1-4H2/t5-/m0/s1
InChIKeyNMNPDGWREYAMNE-YFKPBYRVSA-N
XLogP0.43
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

(2R)-5-azido-2-ethylpentan-1-ol
CID 134846588
3-azidopropan-1-ol
CID 10996974
1-azido-4-methylpentane
CID 58070777
dodecane-1,2,11,12-tetrol
CID 71392430
5-azidopentane-1,2,4-triol
CID 90777098
6-azido-1,1-dideuteriohexan-1-ol
CID 175904391
5-azido-1,1-dihydroxypentan-2-one
CID 151328078
6-azidohexan-1-ol
CID 11051778
8-azidooctan-1-ol
CID 11789665
10-azidodecan-1-ol
CID 4641376
1-azidohexan-2-ol
CID 11171039
(4S)-1-azido-4-fluoropentane
CID 134547070

Frequently Asked Questions

What is the IUPAC name of (2S)-5-azidopentane-1,2-diol?
The IUPAC name of (2S)-5-azidopentane-1,2-diol (CID 22854627) is (2S)-5-azidopentane-1,2-diol.
What is the SMILES notation for (2S)-5-azidopentane-1,2-diol?
The canonical SMILES for (2S)-5-azidopentane-1,2-diol is [N-]=[N+]=NCCC[C@H](O)CO.
What is the InChIKey of (2S)-5-azidopentane-1,2-diol?
The InChIKey is NMNPDGWREYAMNE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-8-7-3-1-2-5(10)4-9/h5,9-10H,1-4H2/t5-/m0/s1.
What are the key properties of (2S)-5-azidopentane-1,2-diol?
(2S)-5-azidopentane-1,2-diol has a molecular weight of 145.16 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-azidopentane-1,2-diol is sourced from PubChem (CID 22854627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).