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

C18H25NO3 — CID 72908895

IUPAC1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESC[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25NO3/c1-14-12-19(13-18(14,21)15-6-5-7-15)17(20)10-11-22-16-8-3-2-4-9-16/h2-4,8-9,14-15,21H,5-7,10-13H2,1H3/t14-,18+/m1/s1
InChIKeyMWEMKHSYYCALGD-KDOFPFPSSA-N
MW303.40 g/mol
LogP2.46
Rot. Bonds5

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

1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 72908895) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
PubChem CID72908895
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESC[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C18H25NO3/c1-14-12-19(13-18(14,21)15-6-5-7-15)17(20)10-11-22-16-8-3-2-4-9-16/h2-4,8-9,14-15,21H,5-7,10-13H2,1H3/t14-,18+/m1/s1
InChIKeyMWEMKHSYYCALGD-KDOFPFPSSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-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

1-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 156603880
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 72906837
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63721709
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
(3aR,6aR)-5-(3-phenoxypropanoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806566
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one (CID 72908895) is 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one is C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]1(O)C1CCC1.
What is the InChIKey of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is MWEMKHSYYCALGD-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-12-19(13-18(14,21)15-6-5-7-15)17(20)10-11-22-16-8-3-2-4-9-16/h2-4,8-9,14-15,21H,5-7,10-13H2,1H3/t14-,18+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one?
1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 303.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 72908895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).