4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid

C21H22N2O5 — CID 120532216

IUPAC4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H22N2O5/c1-21(13-28-2,11-19(25)26)22-18(24)12-23-16-9-5-3-7-14(16)20(27)15-8-4-6-10-17(15)23/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyFRIQFZDKIDJCRQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.15
Rot. Bonds7

About 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid (PubChem CID 120532216) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid
PubChem CID120532216
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C21H22N2O5/c1-21(13-28-2,11-19(25)26)22-18(24)12-23-16-9-5-3-7-14(16)20(27)15-8-4-6-10-17(15)23/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyFRIQFZDKIDJCRQ-UHFFFAOYSA-N
XLogP2.15
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
4-methoxy-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 120532234
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
2-(9-oxoacridin-10-yl)acetyl chloride
CID 15839148
methyl 2-carbazol-9-ylacetate
CID 3745219
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid (CID 120532216) is 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid?
The InChIKey is FRIQFZDKIDJCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-21(13-28-2,11-19(25)26)22-18(24)12-23-16-9-5-3-7-14(16)20(27)15-8-4-6-10-17(15)23/h3-10H,11-13H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid has a molecular weight of 382.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 120532216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).