5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid

C10H15NO6 — CID 57339528

IUPAC5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
SMILESCOC(=O)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H15NO6/c1-17-10(16)5-3-8(13)11-6-7(12)2-4-9(14)15/h2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyLCCZECKDSHHPKL-UHFFFAOYSA-N
MW245.23 g/mol
LogP-0.51
Rot. Bonds8

About 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid

5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid (PubChem CID 57339528) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
PubChem CID57339528
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
SMILESCOC(=O)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C10H15NO6/c1-17-10(16)5-3-8(13)11-6-7(12)2-4-9(14)15/h2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyLCCZECKDSHHPKL-UHFFFAOYSA-N
XLogP-0.51
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid?
The IUPAC name of 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid (CID 57339528) is 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid?
The canonical SMILES for 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid is COC(=O)CCC(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid?
The InChIKey is LCCZECKDSHHPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6/c1-17-10(16)5-3-8(13)11-6-7(12)2-4-9(14)15/h2-6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid?
5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid has a molecular weight of 245.23 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid is sourced from PubChem (CID 57339528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).