(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

C15H17FN2O3 — CID 1496513

IUPAC(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C[C@H](C)N)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H17FN2O3/c1-8(17)7-18-13(10-4-3-5-11(16)6-10)12(9(2)19)14(20)15(18)21/h3-6,8,13,20H,7,17H2,1-2H3/t8-,13+/m0/s1
InChIKeyOUTVBIQAZQDCHX-ISVAXAHUSA-N
MW292.31 g/mol
LogP1.46
Rot. Bonds4

About (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one

(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 1496513) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID1496513
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(C[C@H](C)N)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H17FN2O3/c1-8(17)7-18-13(10-4-3-5-11(16)6-10)12(9(2)19)14(20)15(18)21/h3-6,8,13,20H,7,17H2,1-2H3/t8-,13+/m0/s1
InChIKeyOUTVBIQAZQDCHX-ISVAXAHUSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-acetyl-1-(2-bromoethyl)-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 7306591
2-[(2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 6942304
methyl (3S)-4-[(2S)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]-3-phenylbutanoate
CID 1496325
3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 567238
3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one
CID 3655748
(2R)-3-acetyl-2-(3-fluorophenyl)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2H-pyrrol-5-one
CID 981224
(2S)-3-acetyl-1-(2,2-dimethoxyethyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 1092492
3-acetyl-1-(2-aminoethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 583186
(2S)-3-acetyl-1-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 7306596
ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 69499183
2-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 673040
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108605525

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 1496513) is (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(C[C@H](C)N)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is OUTVBIQAZQDCHX-ISVAXAHUSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-8(17)7-18-13(10-4-3-5-11(16)6-10)12(9(2)19)14(20)15(18)21/h3-6,8,13,20H,7,17H2,1-2H3/t8-,13+/m0/s1.
What are the key properties of (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
(2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 292.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-1-[(2S)-2-aminopropyl]-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 1496513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).