2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid

C15H17NO4 — CID 125168921

IUPAC2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESCCN1C(=O)C[C@@](CC(=O)O)(c2ccccc2C)C1=O
InChIInChI=1S/C15H17NO4/c1-3-16-12(17)8-15(14(16)20,9-13(18)19)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyCUFNFUNYPFFOEU-OAHLLOKOSA-N
MW275.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid

2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (PubChem CID 125168921) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
PubChem CID125168921
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESCCN1C(=O)C[C@@](CC(=O)O)(c2ccccc2C)C1=O
InChIInChI=1S/C15H17NO4/c1-3-16-12(17)8-15(14(16)20,9-13(18)19)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyCUFNFUNYPFFOEU-OAHLLOKOSA-N
XLogP1.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-((Tert-butoxy)carbonyl)-3-phenylpyrrolidin-3-yl)acetic acid
CID 24213825
2-Benzyl-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 82159942
2-[(3S)-1-(cyclohexylmethyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetic acid
CID 125175768
(2S,4R)-3,3-ditert-butyl-4-[(4-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 140257934
2-(Diethylcarbamoyl)-2-phenylcyclopropane-1-carboxylic acid
CID 10149268
3-[(3S,4S)-4-benzyl-4-methyl-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 134972026
tert-butyl (3R)-3-(3-methoxy-3-oxopropyl)-2-oxo-3-phenylpyrrolidine-1-carboxylate
CID 135027666
2-[(3S)-2,5-dioxo-1-(4-phenylbutyl)pyrrolidin-3-yl]acetic acid
CID 176425429
(3S*,4R*)-1-(4-carboxybutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70730693
1-(4-Carboxybutanoyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 77848088
[1-[2-(Dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118759218
{1-Cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-YL}acetic acid
CID 118759406

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (CID 125168921) is 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is CCN1C(=O)C[C@@](CC(=O)O)(c2ccccc2C)C1=O.
What is the InChIKey of 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The InChIKey is CUFNFUNYPFFOEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-16-12(17)8-15(14(16)20,9-13(18)19)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 125168921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).