1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid

C16H20FN3O4 — CID 122001642

IUPAC1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCCNC(=O)N1CCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O4/c17-13-4-1-3-11(9-13)14(21)18-6-2-7-19-16(24)20-8-5-12(10-20)15(22)23/h1,3-4,9,12H,2,5-8,10H2,(H,18,21)(H,19,24)(H,22,23)
InChIKeySOAWUCWRGFSSDE-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.06
Rot. Bonds6

About 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid

1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122001642) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122001642
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(NCCCNC(=O)N1CCC(C(=O)O)C1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O4/c17-13-4-1-3-11(9-13)14(21)18-6-2-7-19-16(24)20-8-5-12(10-20)15(22)23/h1,3-4,9,12H,2,5-8,10H2,(H,18,21)(H,19,24)(H,22,23)
InChIKeySOAWUCWRGFSSDE-UHFFFAOYSA-N
XLogP1.06
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid 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

N-[3-[(3-fluorobenzoyl)amino]propyl]-3-methylpyrrolidine-1-carboxamide
CID 86937809
(1S,5S)-N-[3-[(3-fluorobenzoyl)amino]propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 98203726
N-[3-[(3-fluorobenzoyl)amino]propyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 84592334
1-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076552
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[2-[[2-[(3-fluorobenzoyl)amino]acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525585
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
3-fluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 66261045
N-[3-[(3-aminocyclopentanecarbonyl)amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119783278
N-[3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]propyl]-3-fluorobenzamide
CID 86937278

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122001642) is 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid is O=C(NCCCNC(=O)N1CCC(C(=O)O)C1)c1cccc(F)c1.
What is the InChIKey of 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is SOAWUCWRGFSSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4/c17-13-4-1-3-11(9-13)14(21)18-6-2-7-19-16(24)20-8-5-12(10-20)15(22)23/h1,3-4,9,12H,2,5-8,10H2,(H,18,21)(H,19,24)(H,22,23).
What are the key properties of 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid?
1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorobenzoyl)amino]propylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122001642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).