(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid

C6H7FN4O4 — CID 123726334

IUPAC(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid
SMILES[N-]=[N+]=N[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F
InChIInChI=1S/C6H7FN4O4/c7-3-2(9-10-8)1-11(6(14)15)4(3)5(12)13/h2-4H,1H2,(H,12,13)(H,14,15)/t2-,3+,4+/m1/s1
InChIKeyYUWWWYFWJIADDV-UZBSEBFBSA-N
MW218.14 g/mol
LogP0.45
Rot. Bonds2

About (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid

(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid (PubChem CID 123726334) has the molecular formula C6H7FN4O4 and a molecular weight of 218.14 g/mol. Its IUPAC name is (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid
PubChem CID123726334
Molecular FormulaC6H7FN4O4
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid
SMILES[N-]=[N+]=N[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F
InChIInChI=1S/C6H7FN4O4/c7-3-2(9-10-8)1-11(6(14)15)4(3)5(12)13/h2-4H,1H2,(H,12,13)(H,14,15)/t2-,3+,4+/m1/s1
InChIKeyYUWWWYFWJIADDV-UZBSEBFBSA-N
XLogP0.45
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.45
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,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid
CID 123648982
(3S,4R)-3,4-diazidopyrrolidine-1-carboxylic acid
CID 170159879
(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
CID 90986921
(2S)-4-fluoro-3-methylpyrrolidine-1,2-dicarboxylic acid
CID 122439706
(3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylic acid
CID 137480598
trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
CID 11469195
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
4,5-difluoropyrrolidine-1,3-dicarboxylic acid
CID 22181540
tert-butyl (2R,3R,4R)-4-azido-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-3-fluoropyrrolidine-1-carboxylate
CID 86673849
(2S,4R)-4-azido-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 155212223
(2S,3S)-3-azidopyrrolidine-2-carboxylic acid
CID 86638431

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid (CID 123726334) is (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid is [N-]=[N+]=N[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F.
What is the InChIKey of (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The InChIKey is YUWWWYFWJIADDV-UZBSEBFBSA-N. The full InChI is InChI=1S/C6H7FN4O4/c7-3-2(9-10-8)1-11(6(14)15)4(3)5(12)13/h2-4H,1H2,(H,12,13)(H,14,15)/t2-,3+,4+/m1/s1.
What are the key properties of (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid?
(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid has a molecular weight of 218.14 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 123726334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).