2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid

C14H22N4O6 — CID 154907499

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid
SMILESO=C1CN(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)C(=O)N1.O=CO
InChIInChI=1S/C13H20N4O4.CH2O2/c18-11(5-17-6-12(19)15-13(17)20)14-9-7-21-8-10(9)16-3-1-2-4-16;2-1-3/h9-10H,1-8H2,(H,14,18)(H,15,19,20);1H,(H,2,3)/t9-,10-;/m0./s1
InChIKeyYMLSGROGMXCKPT-IYPAPVHQSA-N
MW342.35 g/mol
LogP-1.78
Rot. Bonds4

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid

2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid (PubChem CID 154907499) has the molecular formula C14H22N4O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid
PubChem CID154907499
Molecular FormulaC14H22N4O6
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid
SMILESO=C1CN(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)C(=O)N1.O=CO
InChIInChI=1S/C13H20N4O4.CH2O2/c18-11(5-17-6-12(19)15-13(17)20)14-9-7-21-8-10(9)16-3-1-2-4-16;2-1-3/h9-10H,1-8H2,(H,14,18)(H,15,19,20);1H,(H,2,3)/t9-,10-;/m0./s1
InChIKeyYMLSGROGMXCKPT-IYPAPVHQSA-N
XLogP-1.78
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 154907942
2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride
CID 154909567
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
6-oxo-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 131892522
2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]piperidine-4-carboxamide
CID 122557604
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
formic acid;1-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]imidazole-2-carboxamide
CID 154911071
3-(2-oxo-3H-benzimidazol-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]propanamide
CID 77095907
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid (CID 154907499) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid is O=C1CN(CC(=O)N[C@H]2COC[C@@H]2N2CCCC2)C(=O)N1.O=CO.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid?
The InChIKey is YMLSGROGMXCKPT-IYPAPVHQSA-N. The full InChI is InChI=1S/C13H20N4O4.CH2O2/c18-11(5-17-6-12(19)15-13(17)20)14-9-7-21-8-10(9)16-3-1-2-4-16;2-1-3/h9-10H,1-8H2,(H,14,18)(H,15,19,20);1H,(H,2,3)/t9-,10-;/m0./s1.
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid?
2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid has a molecular weight of 342.35 g/mol, XLogP of -1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid is sourced from PubChem (CID 154907499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).