(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one

C12H17N3O2 — CID 11544052

IUPAC(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1
InChIInChI=1S/C12H17N3O2/c13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9/h3-5,8,10-11,16H,1-2,6-7,13H2/t10-,11+/m1/s1
InChIKeyHAOVQUDCEAGWDG-MNOVXSKESA-N
MW235.29 g/mol
LogP0.06
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one

(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 11544052) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID11544052
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1
InChIInChI=1S/C12H17N3O2/c13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9/h3-5,8,10-11,16H,1-2,6-7,13H2/t10-,11+/m1/s1
InChIKeyHAOVQUDCEAGWDG-MNOVXSKESA-N
XLogP0.06
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one (CID 11544052) is (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HAOVQUDCEAGWDG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10(12(17)15-6-1-2-7-15)11(16)9-4-3-5-14-8-9/h3-5,8,10-11,16H,1-2,6-7,13H2/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one?
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 11544052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).