(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid

C6H8N4O4 — CID 90986921

IUPAC(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
SMILES[N-]=[N+]=N[C@@H]1C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C6H8N4O4/c7-9-8-3-1-4(5(11)12)10(2-3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1
InChIKeyWQBOWGPMMLEVOY-QWWZWVQMSA-N
MW200.15 g/mol
LogP0.50
Rot. Bonds2

About (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid (PubChem CID 90986921) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
PubChem CID90986921
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid
SMILES[N-]=[N+]=N[C@@H]1C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C6H8N4O4/c7-9-8-3-1-4(5(11)12)10(2-3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1
InChIKeyWQBOWGPMMLEVOY-QWWZWVQMSA-N
XLogP0.50
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.50
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,4R)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 91202469
(2R,4S)-4-azido-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 14842622
(2R,4S)-4-azido-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
CID 165495284
(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 155212930
(2R,4S)-4-azido-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 98008180
(2S,4R)-4-azido-2-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylic acid
CID 155212223
4-azido-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 91581147
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S)-1-[(2S,4S)-4-azido-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 177446714
1-O-tert-butyl 2-O-methyl 4-azidopyrrolidine-1,2-dicarboxylate
CID 14772683
1-O-tert-butyl 2-O-methyl (2S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 57298147
1-O-tert-butyl 2-O-methyl (2S,4S)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11219435

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid (CID 90986921) is (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid is [N-]=[N+]=N[C@@H]1C[C@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is WQBOWGPMMLEVOY-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8N4O4/c7-9-8-3-1-4(5(11)12)10(2-3)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 200.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 90986921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).