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

C15H16FNO4 — CID 79000232

IUPAC(2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](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)/t11-,12-/m1/s1
InChIKeyHDQDPMJEIJXFEH-VXGBXAGGSA-N
MW293.29 g/mol
LogP0.90
Rot. Bonds3

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

(2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000232) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000232
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name(2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](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)/t11-,12-/m1/s1
InChIKeyHDQDPMJEIJXFEH-VXGBXAGGSA-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

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Related Compounds

1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357045
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857293
1-[3-(4-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356850
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295
(2S,4R)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841630
(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 7129275
1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
4-hydroxy-1-(2,4,6-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 65101284
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000232) is (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is HDQDPMJEIJXFEH-VXGBXAGGSA-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)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-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 (2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).