propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate

C15H18FNO3 — CID 91711963

IUPACpropyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyPTLFIPJELGPOFG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.38
Rot. Bonds4

About propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate

propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 91711963) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID91711963
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namepropyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyPTLFIPJELGPOFG-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate 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

Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413
l-Alanine, N-(4-fluorobenzoyl)-, methyl ester
CID 531396
Glycine, N-(4-fluorobenzoyl)-, methyl ester
CID 531397
N-(Tetrahydro-2-oxo-3-furanyl)benzamide
CID 97839
1-Benzoylpyrrolidine-2-carboxylic acid
CID 294890
(2S)-1-benzoylpyrrolidine-2-carboxylic acid
CID 6988239
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
(3-Fluoro-benzoylamino)-acetic acid methyl ester
CID 531466
Methyl 2-[(4-fluorophenyl)carbonylamino]-4-methylpentanoate
CID 2915918
methyl (2S)-2-(3-oxo-1,2-benzoselenazol-2-yl)propanoate
CID 10684430
methyl (2S)-4-methyl-2-(3-oxo-1,2-benzoselenazol-2-yl)pentanoate
CID 10782348
methyl (2R)-4-methyl-2-(3-oxo-1,2-benzoselenazol-2-yl)pentanoate
CID 155533669

Frequently Asked Questions

What is the IUPAC name of propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate (CID 91711963) is propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate is CCCOC(=O)C1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is PTLFIPJELGPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-10-20-15(19)13-4-3-9-17(13)14(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate?
propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(4-fluorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91711963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).