4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid

C18H16N2O5 — CID 8891417

IUPAC4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
SMILESCOc1cccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)c1
InChIInChI=1S/C18H16N2O5/c1-25-14-4-2-3-13(9-14)20-16(21)10-15(17(20)22)19-12-7-5-11(6-8-12)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyPRQHYRDSSUZRNK-OAHLLOKOSA-N
MW340.34 g/mol
LogP2.14
Rot. Bonds5

About 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid

4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid (PubChem CID 8891417) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
PubChem CID8891417
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
SMILESCOc1cccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)c1
InChIInChI=1S/C18H16N2O5/c1-25-14-4-2-3-13(9-14)20-16(21)10-15(17(20)22)19-12-7-5-11(6-8-12)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyPRQHYRDSSUZRNK-OAHLLOKOSA-N
XLogP2.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
3-(3,5-dimethylanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 78665094
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
3-[(3S)-3-(2,4-dimethoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 93235150
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
3-[3-(4-bromoanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43844269
(3S)-3-(3-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860110
(3R)-3-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 27523345
4-[3-(4-chloroanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 2851413
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid?
The IUPAC name of 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid (CID 8891417) is 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid?
The canonical SMILES for 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid is COc1cccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)O)cc3)C2=O)c1.
What is the InChIKey of 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid?
The InChIKey is PRQHYRDSSUZRNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-25-14-4-2-3-13(9-14)20-16(21)10-15(17(20)22)19-12-7-5-11(6-8-12)18(23)24/h2-9,15,19H,10H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid?
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid is sourced from PubChem (CID 8891417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).