(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C11H13FN2O3 — CID 106666987

IUPAC(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC(O)C(O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O3/c12-8-3-6(13)1-2-7(8)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5,13H2
InChIKeyALMXWCFOBNIXRB-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.41
Rot. Bonds1

About (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106666987) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106666987
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC(O)C(O)C2)c(F)c1
InChIInChI=1S/C11H13FN2O3/c12-8-3-6(13)1-2-7(8)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5,13H2
InChIKeyALMXWCFOBNIXRB-UHFFFAOYSA-N
XLogP-0.41
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62986686
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 122561723
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(4-amino-2-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774588
3-[4-(4-amino-2-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 107794773
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106666987) is (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CC(O)C(O)C2)c(F)c1.
What is the InChIKey of (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is ALMXWCFOBNIXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-8-3-6(13)1-2-7(8)11(17)14-4-9(15)10(16)5-14/h1-3,9-10,15-16H,4-5,13H2.
What are the key properties of (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 240.23 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-fluorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106666987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).