2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid

C10H11FN4O3 — CID 68726679

IUPAC2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(F)C(=O)Nc1cnccn1
InChIInChI=1S/C10H11FN4O3/c11-10(2-1-5-15(10)9(17)18)8(16)14-7-6-12-3-4-13-7/h3-4,6H,1-2,5H2,(H,17,18)(H,13,14,16)
InChIKeyUTBJGECJUVBTHY-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.85
Rot. Bonds2

About 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid

2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 68726679) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID68726679
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(F)C(=O)Nc1cnccn1
InChIInChI=1S/C10H11FN4O3/c11-10(2-1-5-15(10)9(17)18)8(16)14-7-6-12-3-4-13-7/h3-4,6H,1-2,5H2,(H,17,18)(H,13,14,16)
InChIKeyUTBJGECJUVBTHY-UHFFFAOYSA-N
XLogP0.85
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(S)-tert-Butyl 4,4-difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59436366
(2S,4R)-tert-Butyl 4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59436441
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
Tert-butyl 4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68472170
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4,4-Difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68474354
Tert-butyl 4,4-difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68475020
4-Fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68476050
Fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68726680
[1-[(2S)-5-amino-2-(pyrazin-2-ylamino)pentanoyl]-2-formylpyrrolidin-1-ium-1-yl] 2,2,2-trifluoroacetate
CID 91149051

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 68726679) is 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1(F)C(=O)Nc1cnccn1.
What is the InChIKey of 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UTBJGECJUVBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-10(2-1-5-15(10)9(17)18)8(16)14-7-6-12-3-4-13-7/h3-4,6H,1-2,5H2,(H,17,18)(H,13,14,16).
What are the key properties of 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 254.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68726679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).