methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate

C14H13NO6 — CID 102271993

IUPACmethyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](O)C1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H13NO6/c1-21-14(20)12(18)11(17)9-7-10(16)15(13(9)19)8-5-3-2-4-6-8/h2-7,11-12,17-18H,1H3/t11-,12-/m1/s1
InChIKeyJHYVNCFFHMKCNW-VXGBXAGGSA-N
MW291.26 g/mol
LogP-0.62
Rot. Bonds4

About methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate

methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate (PubChem CID 102271993) has the molecular formula C14H13NO6 and a molecular weight of 291.26 g/mol. Its IUPAC name is methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate
PubChem CID102271993
Molecular FormulaC14H13NO6
Molecular Weight291.26 g/mol
Exact Mass291.07
IUPAC Namemethyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)[C@H](O)[C@H](O)C1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H13NO6/c1-21-14(20)12(18)11(17)9-7-10(16)15(13(9)19)8-5-3-2-4-6-8/h2-7,11-12,17-18H,1H3/t11-,12-/m1/s1
InChIKeyJHYVNCFFHMKCNW-VXGBXAGGSA-N
XLogP-0.62
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate (CID 102271993) is methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate is COC(=O)[C@H](O)[C@H](O)C1=CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is JHYVNCFFHMKCNW-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H13NO6/c1-21-14(20)12(18)11(17)9-7-10(16)15(13(9)19)8-5-3-2-4-6-8/h2-7,11-12,17-18H,1H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate?
methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 291.26 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 102271993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).