(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H17NO4 — CID 66262175

IUPAC(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO4/c1-17-10-3-4-12(18-2)11(7-10)13(16)14-6-5-9(15)8-14/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyRGWHZOLMOBMVRA-SECBINFHSA-N
MW251.28 g/mol
LogP0.91
Rot. Bonds3

About (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66262175) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66262175
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1ccc(OC)c(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO4/c1-17-10-3-4-12(18-2)11(7-10)13(16)14-6-5-9(15)8-14/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyRGWHZOLMOBMVRA-SECBINFHSA-N
XLogP0.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]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

(2-bromo-5-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261775
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
(4-amino-3-methylpiperidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 79880599
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[3-(chloromethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63392981
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 111561461

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66262175) is (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is COc1ccc(OC)c(C(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is RGWHZOLMOBMVRA-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-10-3-4-12(18-2)11(7-10)13(16)14-6-5-9(15)8-14/h3-4,7,9,15H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 251.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66262175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).