1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one

C10H16FN3O3 — CID 167844107

IUPAC1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1C[C@@H](F)C[C@H]1CO)N1CCNC1=O
InChIInChI=1S/C10H16FN3O3/c11-7-3-8(6-15)13(4-7)5-9(16)14-2-1-12-10(14)17/h7-8,15H,1-6H2,(H,12,17)/t7-,8-/m0/s1
InChIKeyLOYKQVSSZDBCNO-YUMQZZPRSA-N
MW245.25 g/mol
LogP-1.06
Rot. Bonds3

About 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one

1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one (PubChem CID 167844107) has the molecular formula C10H16FN3O3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
PubChem CID167844107
Molecular FormulaC10H16FN3O3
Molecular Weight245.25 g/mol
Exact Mass245.12
IUPAC Name1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
SMILESO=C(CN1C[C@@H](F)C[C@H]1CO)N1CCNC1=O
InChIInChI=1S/C10H16FN3O3/c11-7-3-8(6-15)13(4-7)5-9(16)14-2-1-12-10(14)17/h7-8,15H,1-6H2,(H,12,17)/t7-,8-/m0/s1
InChIKeyLOYKQVSSZDBCNO-YUMQZZPRSA-N
XLogP-1.06
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 111428145
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 112005077
2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112022499
N-(2,2,2-trifluoroethylcarbamoyl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 122135303
N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124286935
N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124287383
N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124554804
N-(2,2,2-trifluoroethylcarbamoyl)-2-[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 124554805
1-[2-[4-Fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 128428422
3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 128986715
3-[3-[4,4-Difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 154741456
1-[2-(hydroxymethyl)pyrrolidin-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 53692688

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one (CID 167844107) is 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one is O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCNC1=O.
What is the InChIKey of 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
The InChIKey is LOYKQVSSZDBCNO-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16FN3O3/c11-7-3-8(6-15)13(4-7)5-9(16)14-2-1-12-10(14)17/h7-8,15H,1-6H2,(H,12,17)/t7-,8-/m0/s1.
What are the key properties of 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one?
1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one has a molecular weight of 245.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 167844107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).