[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone

C13H18N2O2 — CID 129462233

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)15-6-5-11(14)8-15/h3-4,7,11H,5-6,8,14H2,1-2H3/t11-/m1/s1
InChIKeyXHHCQOVDXXJOOG-LLVKDONJSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 129462233) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID129462233
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N)C2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)15-6-5-11(14)8-15/h3-4,7,11H,5-6,8,14H2,1-2H3/t11-/m1/s1
InChIKeyXHHCQOVDXXJOOG-LLVKDONJSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)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-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 113282283
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone (CID 129462233) is [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)N2CC[C@@H](N)C2)cc1C.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is XHHCQOVDXXJOOG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-10(3-4-12(9)17-2)13(16)15-6-5-11(14)8-15/h3-4,7,11H,5-6,8,14H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 129462233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).