[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone

C17H18FNO4 — CID 129484960

IUPAC[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
SMILESCc1cc(CO)oc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H18FNO4/c1-10-5-14(9-20)23-16(10)17(22)19-8-13(21)7-15(19)11-3-2-4-12(18)6-11/h2-6,13,15,20-21H,7-9H2,1H3/t13-,15-/m0/s1
InChIKeyMMGOWUYFKVLMNK-ZFWWWQNUSA-N
MW319.33 g/mol
LogP2.17
Rot. Bonds3

About [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone

[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone (PubChem CID 129484960) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone.

Molecular Properties

Compound Name[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
PubChem CID129484960
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
SMILESCc1cc(CO)oc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H18FNO4/c1-10-5-14(9-20)23-16(10)17(22)19-8-13(21)7-15(19)11-3-2-4-12(18)6-11/h2-6,13,15,20-21H,7-9H2,1H3/t13-,15-/m0/s1
InChIKeyMMGOWUYFKVLMNK-ZFWWWQNUSA-N
XLogP2.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 100719919
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041
4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 128964177
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129350313
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129481566
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
(3,5-difluoro-2-pyridinyl)-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481410
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481641
(5-chloropyrimidin-4-yl)-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129350305

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone?
The IUPAC name of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone (CID 129484960) is [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone.
What is the SMILES notation for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone?
The canonical SMILES for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone is Cc1cc(CO)oc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone?
The InChIKey is MMGOWUYFKVLMNK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10-5-14(9-20)23-16(10)17(22)19-8-13(21)7-15(19)11-3-2-4-12(18)6-11/h2-6,13,15,20-21H,7-9H2,1H3/t13-,15-/m0/s1.
What are the key properties of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone?
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone has a molecular weight of 319.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone is sourced from PubChem (CID 129484960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).