5-(ethylamino)-4,5-dioxopentanoic acid

C7H11NO4 — CID 45482742

IUPAC5-(ethylamino)-4,5-dioxopentanoic acid
SMILESCCNC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-8-7(12)5(9)3-4-6(10)11/h2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyNKLVGCMPNAJPHY-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.44
Rot. Bonds5

About 5-(ethylamino)-4,5-dioxopentanoic acid

5-(ethylamino)-4,5-dioxopentanoic acid (PubChem CID 45482742) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-(ethylamino)-4,5-dioxopentanoic acid.

Molecular Properties

Compound Name5-(ethylamino)-4,5-dioxopentanoic acid
PubChem CID45482742
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name5-(ethylamino)-4,5-dioxopentanoic acid
SMILESCCNC(=O)C(=O)CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-8-7(12)5(9)3-4-6(10)11/h2-4H2,1H3,(H,8,12)(H,10,11)
InChIKeyNKLVGCMPNAJPHY-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(ethylamino)-4,5-dioxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Glutarylglycine
CID 23592950
5-Acetamido-4-oxopentanoic acid
CID 10171277
Alaremycin 2
CID 49866656
4-Oxo-5-(3,3,3-trifluoropropanoylamino)pentanoic acid
CID 54583740
4-(propylcarbamoyl)butanoic Acid
CID 5135850
5-[(4-Methoxy-4-oxobutanoyl)amino]-4-oxopentanoic acid
CID 57339528
(5S)-5-acetamido-4-oxohexanoic acid
CID 54584716
4-Oxo-5-(trifluoroacetamido)pentanoic acid
CID 54585647
4-Oxo-5-(4,4,4-trifluorobutanoylamino)pentanoic acid
CID 54585648
N-methyl-2-oxoglutaramic acid
CID 440065
5-Acetamido-4-oxohexanoic acid
CID 75310435
N-pentylglutaramic acid
CID 3584873

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-4,5-dioxopentanoic acid?
The IUPAC name of 5-(ethylamino)-4,5-dioxopentanoic acid (CID 45482742) is 5-(ethylamino)-4,5-dioxopentanoic acid.
What is the SMILES notation for 5-(ethylamino)-4,5-dioxopentanoic acid?
The canonical SMILES for 5-(ethylamino)-4,5-dioxopentanoic acid is CCNC(=O)C(=O)CCC(=O)O.
What is the InChIKey of 5-(ethylamino)-4,5-dioxopentanoic acid?
The InChIKey is NKLVGCMPNAJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-8-7(12)5(9)3-4-6(10)11/h2-4H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 5-(ethylamino)-4,5-dioxopentanoic acid?
5-(ethylamino)-4,5-dioxopentanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-4,5-dioxopentanoic acid is sourced from PubChem (CID 45482742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).