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

C13H21N3O2 — CID 169423845

IUPAC(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
SMILESC.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1
InChIInChI=1S/C12H17N3O2.CH4/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;1H4/t10-,11+;/m1./s1
InChIKeyARFUPNHQXRITMA-DHXVBOOMSA-N
MW251.33 g/mol
LogP0.70
Rot. Bonds3

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

(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane (PubChem CID 169423845) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
PubChem CID169423845
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
SMILESC.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1cccnc1
InChIInChI=1S/C12H17N3O2.CH4/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;1H4/t10-,11+;/m1./s1
InChIKeyARFUPNHQXRITMA-DHXVBOOMSA-N
XLogP0.70
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
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2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
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2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
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2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;dihydrochloride
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CID 25155665
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483552
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;(2R,3S)-2,3,4-trihydroxybutanoic acid
CID 160911365

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;methane?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane (CID 169423845) is (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane is C.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;methane?
The InChIKey is ARFUPNHQXRITMA-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H17N3O2.CH4/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;1H4/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;methane?
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane has a molecular weight of 251.33 g/mol, XLogP of 0.70, 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;methane is sourced from PubChem (CID 169423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).