3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide

C13H20N2O6 — CID 71236112

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCC[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19)/t9-,10-/m1/s1
InChIKeyOZEFSIACKYSHDE-NXEZZACHSA-N
MW300.31 g/mol
LogP-2.09
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide (PubChem CID 71236112) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide
PubChem CID71236112
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCC[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19)/t9-,10-/m1/s1
InChIKeyOZEFSIACKYSHDE-NXEZZACHSA-N
XLogP-2.09
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
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 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide (CID 71236112) is 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCC[C@@H](O)[C@H](O)CCO.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide?
The InChIKey is OZEFSIACKYSHDE-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N2O6/c16-8-5-10(18)9(17)3-6-14-11(19)4-7-15-12(20)1-2-13(15)21/h1-2,9-10,16-18H,3-8H2,(H,14,19)/t9-,10-/m1/s1.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide has a molecular weight of 300.31 g/mol, XLogP of -2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[(3R,4R)-3,4,6-trihydroxyhexyl]propanamide is sourced from PubChem (CID 71236112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).