(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone

C17H19N3O2 — CID 99852524

IUPAC(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
SMILESN[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-16(13-5-2-1-3-6-13)17(21)20-10-8-15(12-20)22-14-7-4-9-19-11-14/h1-7,9,11,15-16H,8,10,12,18H2/t15-,16+/m1/s1
InChIKeyKGKJWSXOONSLGA-CVEARBPZSA-N
MW297.36 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone

(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone (PubChem CID 99852524) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
PubChem CID99852524
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
SMILESN[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-16(13-5-2-1-3-6-13)17(21)20-10-8-15(12-20)22-14-7-4-9-19-11-14/h1-7,9,11,15-16H,8,10,12,18H2/t15-,16+/m1/s1
InChIKeyKGKJWSXOONSLGA-CVEARBPZSA-N
XLogP1.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone 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-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone (CID 99852524) is (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone is N[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is KGKJWSXOONSLGA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-16(13-5-2-1-3-6-13)17(21)20-10-8-15(12-20)22-14-7-4-9-19-11-14/h1-7,9,11,15-16H,8,10,12,18H2/t15-,16+/m1/s1.
What are the key properties of (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone?
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 99852524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).