trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid

C6H9N3O2 — CID 11469195

IUPACtrans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C6H9N3O2/c7-9-8-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyCLIFLWVRVKRPFM-WHFBIAKZSA-N
MW155.16 g/mol
LogP1.55
Rot. Bonds2

About trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid

trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid (PubChem CID 11469195) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
PubChem CID11469195
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nametrans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C6H9N3O2/c7-9-8-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKeyCLIFLWVRVKRPFM-WHFBIAKZSA-N
XLogP1.55
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.55
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'}

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Related Compounds

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(1R,2S,3R)-3-azidocyclohexane-1,2-diol
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[(1R,2R)-2-azidocyclohexyl] carbonochloridate
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(3S,4R)-3,4-diazidopyrrolidine-1-carboxylic acid
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cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
CID 167634886
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
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(4-azido-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-phenylmethanone
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1-azido-2-hydroperoxycyclododecane
CID 176903012
2-oxalocyclopentane-1-carboxylic acid
CID 146361986
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid (CID 11469195) is trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid is [N-]=[N+]=N[C@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid?
The InChIKey is CLIFLWVRVKRPFM-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-9-8-5-3-1-2-4(5)6(10)11/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid?
trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid is sourced from PubChem (CID 11469195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).