3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

C13H18N2O3 — CID 94895206

IUPAC3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESNc1ccccc1OCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3/c14-11-3-1-2-4-12(11)18-8-6-13(17)15-7-5-10(16)9-15/h1-4,10,16H,5-9,14H2/t10-/m1/s1
InChIKeyADWXSNMZPQILSI-SNVBAGLBSA-N
MW250.30 g/mol
LogP0.63
Rot. Bonds4

About 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 94895206) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID94895206
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESNc1ccccc1OCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O3/c14-11-3-1-2-4-12(11)18-8-6-13(17)15-7-5-10(16)9-15/h1-4,10,16H,5-9,14H2/t10-/m1/s1
InChIKeyADWXSNMZPQILSI-SNVBAGLBSA-N
XLogP0.63
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694
3-(2-aminophenoxy)-1-(3-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 102954849
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
4-[3-(2-aminophenoxy)propanoyl]morpholine-2-carbonitrile
CID 79663625
3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
3-(2-aminophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 61094127
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(2-aminophenoxy)propan-1-one
CID 82751602
(3R)-1-[2-(2-aminophenoxy)ethylsulfonyl]pyrrolidin-3-ol
CID 107212043

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (CID 94895206) is 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is Nc1ccccc1OCCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is ADWXSNMZPQILSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11-3-1-2-4-12(11)18-8-6-13(17)15-7-5-10(16)9-15/h1-4,10,16H,5-9,14H2/t10-/m1/s1.
What are the key properties of 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 250.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94895206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).