1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H16FNO4 — CID 43357038

IUPAC1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(18)16-8-11(17)7-12(16)14(19)20/h1-2,4-5,11-12,17H,3,6-8H2,(H,19,20)
InChIKeyAQVOOISMKRHKSM-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.80
Rot. Bonds4

About 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43357038) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43357038
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(18)16-8-11(17)7-12(16)14(19)20/h1-2,4-5,11-12,17H,3,6-8H2,(H,19,20)
InChIKeyAQVOOISMKRHKSM-UHFFFAOYSA-N
XLogP0.80
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-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

(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 698601
1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 45782852
1-(2-Phenylacetyl)pyrrolidine-2-carboxylic acid
CID 2831887
1-(Boc-L-phenylalanyl)-(4R)-4-hydroxy-L-proline
CID 44429247
(2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 155556394
(2S,4R)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 14103085
(2S,4S)-1-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 14103086
trans-4-Hydroxy-1-L-phenylalanyl-L-proline
CID 25227056
(2S,4S)-1-(2,2-diphenylacetyl)-4-(3-(4-fluorophenyl)-propoxy)pyrrolidine-2-carboxylic acid
CID 89677514
1-(4-Fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2774420
1-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 6009888
(2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 11256209

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43357038) is 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AQVOOISMKRHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-4-1-9(2-5-10)3-6-13(18)16-8-11(17)7-12(16)14(19)20/h1-2,4-5,11-12,17H,3,6-8H2,(H,19,20).
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43357038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).