4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid

C22H24N2O4 — CID 120528483

IUPAC4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C22H24N2O4/c1-14(2)11-15(22(27)28)12-23-20(25)13-24-18-9-5-3-7-16(18)21(26)17-8-4-6-10-19(17)24/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyQVWTUSBWCYNACU-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds7

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

4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 120528483) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID120528483
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C22H24N2O4/c1-14(2)11-15(22(27)28)12-23-20(25)13-24-18-9-5-3-7-16(18)21(26)17-8-4-6-10-19(17)24/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyQVWTUSBWCYNACU-UHFFFAOYSA-N
XLogP3.02
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid (CID 120528483) is 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is QVWTUSBWCYNACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)11-15(22(27)28)12-23-20(25)13-24-18-9-5-3-7-16(18)21(26)17-8-4-6-10-19(17)24/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 120528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).