(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate

C19H23FN2O3 — CID 75397933

IUPAC(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate
SMILESO=C(OCC1CC(=O)N(C2CC2)C1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c20-16-10-14(3-6-17(16)21-7-1-2-8-21)19(24)25-12-13-9-18(23)22(11-13)15-4-5-15/h3,6,10,13,15H,1-2,4-5,7-9,11-12H2
InChIKeyBRNJGTRGWDNQOT-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.59
Rot. Bonds5

About (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate

(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate (PubChem CID 75397933) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate
PubChem CID75397933
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate
SMILESO=C(OCC1CC(=O)N(C2CC2)C1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c20-16-10-14(3-6-17(16)21-7-1-2-8-21)19(24)25-12-13-9-18(23)22(11-13)15-4-5-15/h3,6,10,13,15H,1-2,4-5,7-9,11-12H2
InChIKeyBRNJGTRGWDNQOT-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 3,5-dimethylbenzoate
CID 97047531
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2,4-dimethylbenzoate
CID 97047499
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 4-(diethylaminomethyl)benzoate
CID 119038618
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-fluoro-1-benzofuran-2-carboxylate
CID 99607288
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-methylthiophene-2-carboxylate
CID 71857487
methyl 4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-3-fluorobenzoate
CID 168504022
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 97047508
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 2-(4-iodophenyl)acetate
CID 99800520

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate (CID 75397933) is (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate is O=C(OCC1CC(=O)N(C2CC2)C1)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate?
The InChIKey is BRNJGTRGWDNQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-10-14(3-6-17(16)21-7-1-2-8-21)19(24)25-12-13-9-18(23)22(11-13)15-4-5-15/h3,6,10,13,15H,1-2,4-5,7-9,11-12H2.
What are the key properties of (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate?
(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate has a molecular weight of 346.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl 3-fluoro-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 75397933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).