2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate

C16H16NO7- — CID 7307909

IUPAC2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
SMILESCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])c(OC)c1
InChIInChI=1S/C16H17NO7/c1-8(18)13-14(17(7-12(19)20)16(22)15(13)21)10-5-4-9(23-2)6-11(10)24-3/h4-6,14,21H,7H2,1-3H3,(H,19,20)/p-1/t14-/m1/s1
InChIKeyNWNBFXOOUAKJGP-CQSZACIVSA-M
MW334.30 g/mol
LogP-0.26
Rot. Bonds6

About 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate

2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate (PubChem CID 7307909) has the molecular formula C16H16NO7- and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate.

Molecular Properties

Compound Name2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
PubChem CID7307909
Molecular FormulaC16H16NO7-
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
SMILESCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])c(OC)c1
InChIInChI=1S/C16H17NO7/c1-8(18)13-14(17(7-12(19)20)16(22)15(13)21)10-5-4-9(23-2)6-11(10)24-3/h4-6,14,21H,7H2,1-3H3,(H,19,20)/p-1/t14-/m1/s1
InChIKeyNWNBFXOOUAKJGP-CQSZACIVSA-M
XLogP-0.26
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 786135
(2S)-3-acetyl-1-butyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 7008302
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 1112620
4-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 7068202
4-[(2S)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 40941500
2-[3-acetyl-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 44825093
1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 3599962
3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 2888991
2-[(2R)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
CID 6943623
2-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetic acid
CID 673040
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 40909817
methyl 2-[(2R)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]acetate
CID 787706

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The IUPAC name of 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate (CID 7307909) is 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate.
What is the SMILES notation for 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The canonical SMILES for 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate is COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CC(=O)[O-])c(OC)c1.
What is the InChIKey of 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
The InChIKey is NWNBFXOOUAKJGP-CQSZACIVSA-M. The full InChI is InChI=1S/C16H17NO7/c1-8(18)13-14(17(7-12(19)20)16(22)15(13)21)10-5-4-9(23-2)6-11(10)24-3/h4-6,14,21H,7H2,1-3H3,(H,19,20)/p-1/t14-/m1/s1.
What are the key properties of 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate?
2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate has a molecular weight of 334.30 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate is sourced from PubChem (CID 7307909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).