[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

C24H22N2O6 — CID 55640731

IUPAC[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O
InChIInChI=1S/C24H22N2O6/c1-13(2)26-11-14(9-21(26)28)24(31)32-12-20(27)25-15-7-8-18-19(10-15)23(30)17-6-4-3-5-16(17)22(18)29/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,27)
InChIKeyGQFATPHOCAVFFC-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.20
Rot. Bonds5

About [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 55640731) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID55640731
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCC(C)N1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O
InChIInChI=1S/C24H22N2O6/c1-13(2)26-11-14(9-21(26)28)24(31)32-12-20(27)25-15-7-8-18-19(10-15)23(30)17-6-4-3-5-16(17)22(18)29/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,27)
InChIKeyGQFATPHOCAVFFC-UHFFFAOYSA-N
XLogP2.20
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640942
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9166196
[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55640887
[2-(2-chloroanilino)-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580915
[2-(2-chloroanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580912
[2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166626
[2-(2,4-dimethylanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 1411677
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11925037
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677
[2-(naphthalen-2-ylamino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871371
(2-anilino-2-oxoethyl) (3S)-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylate
CID 124578850
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183

Frequently Asked Questions

What is the IUPAC name of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (CID 55640731) is [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is CC(C)N1CC(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1=O.
What is the InChIKey of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is GQFATPHOCAVFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-13(2)26-11-14(9-21(26)28)24(31)32-12-20(27)25-15-7-8-18-19(10-15)23(30)17-6-4-3-5-16(17)22(18)29/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,27).
What are the key properties of [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 434.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55640731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).