[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C19H27NO3 — CID 97119464

IUPAC[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CCC1
InChIInChI=1S/C19H27NO3/c1-23-14-19(8-2-9-19)18(22)20-10-7-17(12-20)11-15-3-5-16(13-21)6-4-15/h3-6,17,21H,2,7-14H2,1H3/t17-/m1/s1
InChIKeySQATWDKEQGRMES-QGZVFWFLSA-N
MW317.43 g/mol
LogP2.39
Rot. Bonds6

About [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 97119464) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID97119464
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CCC1
InChIInChI=1S/C19H27NO3/c1-23-14-19(8-2-9-19)18(22)20-10-7-17(12-20)11-15-3-5-16(13-21)6-4-15/h3-6,17,21H,2,7-14H2,1H3/t17-/m1/s1
InChIKeySQATWDKEQGRMES-QGZVFWFLSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone 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

(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
formic acid;(4-hydroxy-1-methylpiperidin-4-yl)-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 171711113
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72891430
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71854094
1-[2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120691973
N-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 97142329
4-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 70718118
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 97119464) is [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CCC1.
What is the InChIKey of [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is SQATWDKEQGRMES-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-14-19(8-2-9-19)18(22)20-10-7-17(12-20)11-15-3-5-16(13-21)6-4-15/h3-6,17,21H,2,7-14H2,1H3/t17-/m1/s1.
What are the key properties of [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 97119464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).