[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate

C15H19NO5 — CID 102365423

IUPAC[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1[C@H](O)[C@@H](O)C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-9(11-6-4-3-5-7-11)16-12(8-21-10(2)17)13(18)14(19)15(16)20/h3-7,9,12-14,18-19H,8H2,1-2H3/t9-,12+,13+,14-/m1/s1
InChIKeyULLWDABDVXPELT-IGJVIKARSA-N
MW293.32 g/mol
LogP0.24
Rot. Bonds4

About [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate

[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate (PubChem CID 102365423) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
PubChem CID102365423
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1[C@H](O)[C@@H](O)C(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-9(11-6-4-3-5-7-11)16-12(8-21-10(2)17)13(18)14(19)15(16)20/h3-7,9,12-14,18-19H,8H2,1-2H3/t9-,12+,13+,14-/m1/s1
InChIKeyULLWDABDVXPELT-IGJVIKARSA-N
XLogP0.24
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate with MolForge

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Related Compounds

tert-butyl 2-[(3R,5Z,8S,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201641
tert-butyl 2-[(3S,5Z,8R,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201607
tert-butyl 2-[(3S,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201642
tert-butyl 2-[(3R,5Z,8S,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201747
tert-butyl 2-[(3R,5Z,8R,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201757
tert-butyl 2-[(3S,5Z,8S,12R)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201878
tert-butyl 2-[(3S,5Z,8S,12S)-3-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-2,9-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-8-yl]acetate
CID 44201885
ethyl (3S,4R)-1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 23583731
(3r,4s)-Ethyl 1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 23583732
methyl (2S,3S)-2,3-dihydroxy-3-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 71524524
ethyl (2R,3S)-2,3-dihydroxy-3-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propanoate
CID 72707771
Ethyl (4-hydroxy-1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)acetate
CID 389096

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate?
The IUPAC name of [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate (CID 102365423) is [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate?
The canonical SMILES for [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate is CC(=O)OC[C@H]1[C@H](O)[C@@H](O)C(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate?
The InChIKey is ULLWDABDVXPELT-IGJVIKARSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(11-6-4-3-5-7-11)16-12(8-21-10(2)17)13(18)14(19)15(16)20/h3-7,9,12-14,18-19H,8H2,1-2H3/t9-,12+,13+,14-/m1/s1.
What are the key properties of [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate?
[(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate has a molecular weight of 293.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-3,4-dihydroxy-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methyl acetate is sourced from PubChem (CID 102365423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).