3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

C13H20N2O5 — CID 103954131

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O5/c16-9-13(4-7-20-8-5-13)14-10(17)3-6-15-11(18)1-2-12(15)19/h16H,1-9H2,(H,14,17)
InChIKeyGUGRGDRTIJHHDS-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.82
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (PubChem CID 103954131) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
PubChem CID103954131
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H20N2O5/c16-9-13(4-7-20-8-5-13)14-10(17)3-6-15-11(18)1-2-12(15)19/h16H,1-9H2,(H,14,17)
InChIKeyGUGRGDRTIJHHDS-UHFFFAOYSA-N
XLogP-0.82
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
CID 97244449
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
CID 79845575
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164798
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517031
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 171679438

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide (CID 103954131) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is O=C(CCN1C(=O)CCC1=O)NC1(CO)CCOCC1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
The InChIKey is GUGRGDRTIJHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-9-13(4-7-20-8-5-13)14-10(17)3-6-15-11(18)1-2-12(15)19/h16H,1-9H2,(H,14,17).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide has a molecular weight of 284.31 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide is sourced from PubChem (CID 103954131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).