3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide

C12H18N2O4 — CID 97244449

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
SMILESC[C@@]1(NC(=O)CCN2C(=O)CCC2=O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-12(5-7-18-8-12)13-9(15)4-6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyXZAWWYDIPHTHSJ-GFCCVEGCSA-N
MW254.29 g/mol
LogP-0.18
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide (PubChem CID 97244449) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
PubChem CID97244449
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
SMILESC[C@@]1(NC(=O)CCN2C(=O)CCC2=O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-12(5-7-18-8-12)13-9(15)4-6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15)/t12-/m1/s1
InChIKeyXZAWWYDIPHTHSJ-GFCCVEGCSA-N
XLogP-0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954131
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164798
N-(3-methyloxolan-3-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 102560720
3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
CID 120613594
2-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]cyclobutyl]acetic acid
CID 79845575
N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035447
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
3-cyclopropyl-3-hydroxy-N-(3-methyloxolan-3-yl)butanamide
CID 136517846
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide (CID 97244449) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide is C[C@@]1(NC(=O)CCN2C(=O)CCC2=O)CCOC1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide?
The InChIKey is XZAWWYDIPHTHSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(5-7-18-8-12)13-9(15)4-6-14-10(16)2-3-11(14)17/h2-8H2,1H3,(H,13,15)/t12-/m1/s1.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide is sourced from PubChem (CID 97244449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).