3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid

C11H12FN3O3 — CID 122590844

IUPAC3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O3/c12-9-5-7(1-3-13-9)10(16)14-8-2-4-15(6-8)11(17)18/h1,3,5,8H,2,4,6H2,(H,14,16)(H,17,18)
InChIKeyNXIVJCNIRIVQCO-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.70
Rot. Bonds2

About 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid

3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 122590844) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID122590844
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O3/c12-9-5-7(1-3-13-9)10(16)14-8-2-4-15(6-8)11(17)18/h1,3,5,8H,2,4,6H2,(H,14,16)(H,17,18)
InChIKeyNXIVJCNIRIVQCO-UHFFFAOYSA-N
XLogP0.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
CID 144683851
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497
N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
CID 95323518
(3R)-3-[[4-[methyl(2-methylpropanoyl)amino]pyridine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 134363639
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 62161092
3-[(5-phenylpyrimidine-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590614

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid (CID 122590844) is 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)C1)c1ccnc(F)c1.
What is the InChIKey of 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is NXIVJCNIRIVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-9-5-7(1-3-13-9)10(16)14-8-2-4-15(6-8)11(17)18/h1,3,5,8H,2,4,6H2,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid?
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 122590844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).