(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol

C6H11N3O2 — CID 71378179

IUPAC(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol
SMILES[N-]=[N+]=N[C@@H]1C[C@H](CO)C[C@H]1O
InChIInChI=1S/C6H11N3O2/c7-9-8-5-1-4(3-10)2-6(5)11/h4-6,10-11H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyRSIWMGCBAWDFKX-KVQBGUIXSA-N
MW157.17 g/mol
LogP0.43
Rot. Bonds2

About (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol

(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 71378179) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol
PubChem CID71378179
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol
SMILES[N-]=[N+]=N[C@@H]1C[C@H](CO)C[C@H]1O
InChIInChI=1S/C6H11N3O2/c7-9-8-5-1-4(3-10)2-6(5)11/h4-6,10-11H,1-3H2/t4-,5+,6+/m0/s1
InChIKeyRSIWMGCBAWDFKX-KVQBGUIXSA-N
XLogP0.43
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
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': '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 (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol (CID 71378179) is (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol is [N-]=[N+]=N[C@@H]1C[C@H](CO)C[C@H]1O.
What is the InChIKey of (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is RSIWMGCBAWDFKX-KVQBGUIXSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-9-8-5-1-4(3-10)2-6(5)11/h4-6,10-11H,1-3H2/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 157.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-azido-4-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 71378179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).