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

C15H16FNO4 — CID 43171353

IUPAC1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20)
InChIKeyHDQDPMJEIJXFEH-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.90
Rot. Bonds3

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

1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43171353) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43171353
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20)
InChIKeyHDQDPMJEIJXFEH-UHFFFAOYSA-N
XLogP0.90
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-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

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-(2-Amino-3-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 53480675
(2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2S)-2-phenylcyclopropyl)methoxy)pyrrolidine-2-carboxylic acid
CID 89681518
(2S,4S)-1-(2,2-diphenylacetyl)-4-(((1R,2R)-2-phenylcyclopropyl)methoxy)pyrrolidine-2-carboxylic
CID 117776871
[2-(3,4-Difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 86817266
Methyl 4-methoxy-1-(2-(m-tolyl)acetyl)pyrrolidine-2-carboxylate
CID 91624708
methyl (2S,4S)-1-[2-(4-fluorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxylate
CID 91650663
(2R)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 94967170
(2S)-1-[4-(3,4-difluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 94967171
(2R)-1-[3-(4-fluorophenyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 119371357

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43171353) is 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HDQDPMJEIJXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c16-10-3-1-9(2-4-10)15(5-6-15)14(21)17-8-11(18)7-12(17)13(19)20/h1-4,11-12,18H,5-8H2,(H,19,20).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43171353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).