(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane

C14H27N3O2S — CID 158733904

IUPAC(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
SMILESC.C.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.S
InChIInChI=1S/C12H17N3O2.2CH4.H2S/c13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;;;/h3-6,10-11,16H,1-2,7-8,13H2;2*1H4;1H2/t10-,11+;;;/m1.../s1
InChIKeyILKXZIIXNPCGQZ-NCWKAXKRSA-N
MW301.46 g/mol
LogP1.45
Rot. Bonds3

About (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane

(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane (PubChem CID 158733904) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
PubChem CID158733904
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
SMILESC.C.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.S
InChIInChI=1S/C12H17N3O2.2CH4.H2S/c13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;;;/h3-6,10-11,16H,1-2,7-8,13H2;2*1H4;1H2/t10-,11+;;;/m1.../s1
InChIKeyILKXZIIXNPCGQZ-NCWKAXKRSA-N
XLogP1.45
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
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2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
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CID 50940502
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
(2S,3R)-2-amino-3-hydroxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;sulfane;dihydrochloride
CID 169431320
(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483552
(2S,3R)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483551
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
2-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione;methane;hydrochloride
CID 162171387
N-[(2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 70894299
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane?
The IUPAC name of (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane (CID 158733904) is (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane.
What is the SMILES notation for (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane?
The canonical SMILES for (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane is C.C.N[C@@H](C(=O)N1CCCC1)[C@@H](O)c1ccncc1.S.
What is the InChIKey of (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane?
The InChIKey is ILKXZIIXNPCGQZ-NCWKAXKRSA-N. The full InChI is InChI=1S/C12H17N3O2.2CH4.H2S/c13-10(12(17)15-7-1-2-8-15)11(16)9-3-5-14-6-4-9;;;/h3-6,10-11,16H,1-2,7-8,13H2;2*1H4;1H2/t10-,11+;;;/m1.../s1.
What are the key properties of (2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane?
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane has a molecular weight of 301.46 g/mol, XLogP of 1.45, 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-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane is sourced from PubChem (CID 158733904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).