(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid

C18H22FNO2 — CID 163809088

IUPAC(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESC=C1C(c2cccc(F)c2)C1N1CCC[C@]1(CCC)C(=O)O
InChIInChI=1S/C18H22FNO2/c1-3-8-18(17(21)22)9-5-10-20(18)16-12(2)15(16)13-6-4-7-14(19)11-13/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H,21,22)/t15?,16?,18-/m1/s1
InChIKeyNLRQJIFKZWQEAM-LEOMRAHMSA-N
MW303.38 g/mol
LogP3.57
Rot. Bonds5

About (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid

(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 163809088) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID163809088
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESC=C1C(c2cccc(F)c2)C1N1CCC[C@]1(CCC)C(=O)O
InChIInChI=1S/C18H22FNO2/c1-3-8-18(17(21)22)9-5-10-20(18)16-12(2)15(16)13-6-4-7-14(19)11-13/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H,21,22)/t15?,16?,18-/m1/s1
InChIKeyNLRQJIFKZWQEAM-LEOMRAHMSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid (CID 163809088) is (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid is C=C1C(c2cccc(F)c2)C1N1CCC[C@]1(CCC)C(=O)O.
What is the InChIKey of (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NLRQJIFKZWQEAM-LEOMRAHMSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-3-8-18(17(21)22)9-5-10-20(18)16-12(2)15(16)13-6-4-7-14(19)11-13/h4,6-7,11,15-16H,2-3,5,8-10H2,1H3,(H,21,22)/t15?,16?,18-/m1/s1.
What are the key properties of (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 303.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-fluorophenyl)-3-methylidenecyclopropyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 163809088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).