1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one

C18H24FNO2 — CID 72880087

IUPAC1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H24FNO2/c1-13-11-20(12-18(13,22)15-5-3-6-15)17(21)9-8-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyPNQUKTNQGQTUKU-ACJLOTCBSA-N
MW305.39 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one

1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one (PubChem CID 72880087) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
PubChem CID72880087
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H24FNO2/c1-13-11-20(12-18(13,22)15-5-3-6-15)17(21)9-8-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1H3/t13-,18+/m1/s1
InChIKeyPNQUKTNQGQTUKU-ACJLOTCBSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one 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

((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-propylpiperidin-1-yl)methanone
CID 46885816
US11807646, Example 30
CID 139375774
US11807646, Example 43
CID 139370008
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 44828612
(3S*,4R*)-4-(4-fluorophenyl)-1-[(4-hydroxy-1-methylpiperidin-4-yl)carbonyl]pyrrolidine-3-carboxylic acid
CID 70709672
(3R*,4R*)-1-[(2,4-difluorophenyl)acetyl]-3-isopropyl-4-methylpyrrolidin-3-ol
CID 70777958
1-[(3S)-3-Hydroxypyrrolidin-1-YL]-3-(2-methylphenyl)butan-1-one
CID 71922612
(3R)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-3,4,4-trimethyl-3-pyrrolidinol
CID 72871251
N-benzyl-3-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N-methylpropanamide
CID 72891812
(3R*,4R*)-3-cyclobutyl-1-[3-(2,4-difluorophenyl)propanoyl]-4-methyl-3-pyrrolidinol
CID 72905048
(3S*,4S*)-1-[3-(4-fluorophenyl)propanoyl]-4-isopropyl-3-pyrrolidinecarboxylic acid
CID 72907793
3-(2-Fluorophenyl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 118739964

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one (CID 72880087) is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one is C[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@]1(O)C1CCC1.
What is the InChIKey of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
The InChIKey is PNQUKTNQGQTUKU-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-13-11-20(12-18(13,22)15-5-3-6-15)17(21)9-8-14-4-2-7-16(19)10-14/h2,4,7,10,13,15,22H,3,5-6,8-9,11-12H2,1H3/t13-,18+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one?
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one has a molecular weight of 305.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 72880087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).