(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C18H19FN2O3 — CID 125148849

IUPAC(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(17(23)24)9-10-21(11-18)16(22)15-8-7-14(20(15)2)12-3-5-13(19)6-4-12/h3-8H,9-11H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyLSABORAZVXUCAM-GOSISDBHSA-N
MW330.36 g/mol
LogP2.77
Rot. Bonds3

About (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 125148849) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID125148849
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(17(23)24)9-10-21(11-18)16(22)15-8-7-14(20(15)2)12-3-5-13(19)6-4-12/h3-8H,9-11H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyLSABORAZVXUCAM-GOSISDBHSA-N
XLogP2.77
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 125148849) is (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is Cn1c(C(=O)N2CC[C@@](C)(C(=O)O)C2)ccc1-c1ccc(F)cc1.
What is the InChIKey of (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LSABORAZVXUCAM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(17(23)24)9-10-21(11-18)16(22)15-8-7-14(20(15)2)12-3-5-13(19)6-4-12/h3-8H,9-11H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(4-fluorophenyl)-1-methylpyrrole-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125148849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).