1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

C13H18N2O2 — CID 81469940

IUPAC1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)8-13(16)15-7-6-11(14)9-15/h2-5,11H,6-9,14H2,1H3/t11-/m1/s1
InChIKeyYEBLSXXMRMGTOM-LLVKDONJSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds3

About 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 81469940) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID81469940
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)8-13(16)15-7-6-11(14)9-15/h2-5,11H,6-9,14H2,1H3/t11-/m1/s1
InChIKeyYEBLSXXMRMGTOM-LLVKDONJSA-N
XLogP0.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746
(3R)-1-[(3R)-3-aminopyrrolidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 124686287
1-(3-aminopyrrolidin-1-yl)-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 126795178
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
N-cyclopropyl-2-(2-methoxyphenyl)-N-[(3S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 97237972
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
2-(2-methoxyphenyl)-1-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethanone
CID 95616146

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 81469940) is 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is YEBLSXXMRMGTOM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-3-2-4-10(12)8-13(16)15-7-6-11(14)9-15/h2-5,11H,6-9,14H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 81469940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).