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

C11H16N2O3 — CID 25155665

IUPAC(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@H](O)c1ccoc1
InChIInChI=1S/C11H16N2O3/c12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13/h3,6-7,9-10,14H,1-2,4-5,12H2/t9-,10-/m1/s1
InChIKeyIJXVUBQXRZEZII-NXEZZACHSA-N
MW224.26 g/mol
LogP0.26
Rot. Bonds3

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

(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25155665) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25155665
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESN[C@@H](C(=O)N1CCCC1)[C@H](O)c1ccoc1
InChIInChI=1S/C11H16N2O3/c12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13/h3,6-7,9-10,14H,1-2,4-5,12H2/t9-,10-/m1/s1
InChIKeyIJXVUBQXRZEZII-NXEZZACHSA-N
XLogP0.26
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid
CID 66207169
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
(2R,3S)-2-amino-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one;methane;sulfane
CID 158733904
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(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,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 143270061
2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;dihydrochloride
CID 68954916
2-amino-2-(furan-3-yl)acetic acid
CID 4564162

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 25155665) is (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is N[C@@H](C(=O)N1CCCC1)[C@H](O)c1ccoc1.
What is the InChIKey of (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IJXVUBQXRZEZII-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-9(10(14)8-3-6-16-7-8)11(15)13-4-1-2-5-13/h3,6-7,9-10,14H,1-2,4-5,12H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 224.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25155665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).