cis-(1R,3S)-2-azidocyclopentane-1,3-diol

C5H9N3O2 — CID 130822614

IUPACcis-(1R,3S)-2-azidocyclopentane-1,3-diol
SMILES[N-]=[N+]=NC1[C@H](O)CC[C@@H]1O
InChIInChI=1S/C5H9N3O2/c6-8-7-5-3(9)1-2-4(5)10/h3-5,9-10H,1-2H2/t3-,4+,5?
InChIKeyMPJKNBWECCYQQD-NGQZWQHPSA-N
MW143.15 g/mol
LogP0.18
Rot. Bonds1

About cis-(1R,3S)-2-azidocyclopentane-1,3-diol

cis-(1R,3S)-2-azidocyclopentane-1,3-diol (PubChem CID 130822614) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is cis-(1R,3S)-2-azidocyclopentane-1,3-diol.

Molecular Properties

Compound Namecis-(1R,3S)-2-azidocyclopentane-1,3-diol
PubChem CID130822614
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Namecis-(1R,3S)-2-azidocyclopentane-1,3-diol
SMILES[N-]=[N+]=NC1[C@H](O)CC[C@@H]1O
InChIInChI=1S/C5H9N3O2/c6-8-7-5-3(9)1-2-4(5)10/h3-5,9-10H,1-2H2/t3-,4+,5?
InChIKeyMPJKNBWECCYQQD-NGQZWQHPSA-N
XLogP0.18
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 50.18
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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Related Compounds

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CID 131137989
2,5-diazidocyclopentan-1-ol
CID 85255446
8-azidocyclooct-4-en-1-ol
CID 173485913
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
CID 157349847
(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol
CID 102020779
(1R,2S,3R,4S,5R,6R)-4-azido-6-methoxycyclohexane-1,2,3,5-tetrol
CID 101098070
(2S,3R,4S,5S)-4-azido-2-methoxythiane-3,5-diol
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2-azidocyclopentane-1,3-diol?
The IUPAC name of cis-(1R,3S)-2-azidocyclopentane-1,3-diol (CID 130822614) is cis-(1R,3S)-2-azidocyclopentane-1,3-diol.
What is the SMILES notation for cis-(1R,3S)-2-azidocyclopentane-1,3-diol?
The canonical SMILES for cis-(1R,3S)-2-azidocyclopentane-1,3-diol is [N-]=[N+]=NC1[C@H](O)CC[C@@H]1O.
What is the InChIKey of cis-(1R,3S)-2-azidocyclopentane-1,3-diol?
The InChIKey is MPJKNBWECCYQQD-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-8-7-5-3(9)1-2-4(5)10/h3-5,9-10H,1-2H2/t3-,4+,5?.
What are the key properties of cis-(1R,3S)-2-azidocyclopentane-1,3-diol?
cis-(1R,3S)-2-azidocyclopentane-1,3-diol has a molecular weight of 143.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2-azidocyclopentane-1,3-diol is sourced from PubChem (CID 130822614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).