(2S,3S)-3-azidopyrrolidine-2-carboxylic acid

C5H8N4O2 — CID 86638431

IUPAC(2S,3S)-3-azidopyrrolidine-2-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C5H8N4O2/c6-9-8-3-1-2-7-4(3)5(10)11/h3-4,7H,1-2H2,(H,10,11)/t3-,4-/m0/s1
InChIKeyHCNJYUKJYQMDQL-IMJSIDKUSA-N
MW156.14 g/mol
LogP0.11
Rot. Bonds2

About (2S,3S)-3-azidopyrrolidine-2-carboxylic acid

(2S,3S)-3-azidopyrrolidine-2-carboxylic acid (PubChem CID 86638431) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2S,3S)-3-azidopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-azidopyrrolidine-2-carboxylic acid
PubChem CID86638431
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name(2S,3S)-3-azidopyrrolidine-2-carboxylic acid
SMILES[N-]=[N+]=N[C@H]1CCN[C@@H]1C(=O)O
InChIInChI=1S/C5H8N4O2/c6-9-8-3-1-2-7-4(3)5(10)11/h3-4,7H,1-2H2,(H,10,11)/t3-,4-/m0/s1
InChIKeyHCNJYUKJYQMDQL-IMJSIDKUSA-N
XLogP0.11
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.11
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

(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
2,5-diazidocyclopentan-1-ol
CID 85255446
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-3-(fluoromethyl)pyrrolidine-2-carboxylic acid
CID 155124572
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
(1S,2R,6S)-3-azabicyclo[4.1.0]heptane-2-carboxylic acid;hydrochloride
CID 154814140
3-propylpyrrolidine-2-carboxylic acid
CID 14482017
3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azidopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-azidopyrrolidine-2-carboxylic acid (CID 86638431) is (2S,3S)-3-azidopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-azidopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-azidopyrrolidine-2-carboxylic acid is [N-]=[N+]=N[C@H]1CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-3-azidopyrrolidine-2-carboxylic acid?
The InChIKey is HCNJYUKJYQMDQL-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-9-8-3-1-2-7-4(3)5(10)11/h3-4,7H,1-2H2,(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-3-azidopyrrolidine-2-carboxylic acid?
(2S,3S)-3-azidopyrrolidine-2-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azidopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86638431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).