4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid

C12H14N2O6 — CID 142750404

IUPAC4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid
SMILESO=CC(CCC(=O)O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O6/c15-7-8(1-4-12(19)20)13-9(16)5-6-14-10(17)2-3-11(14)18/h2-3,7-8H,1,4-6H2,(H,13,16)(H,19,20)
InChIKeyCFPBFANIFLJIOO-UHFFFAOYSA-N
MW282.25 g/mol
LogP-1.15
Rot. Bonds8

About 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid

4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid (PubChem CID 142750404) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid
PubChem CID142750404
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid
SMILESO=CC(CCC(=O)O)NC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O6/c15-7-8(1-4-12(19)20)13-9(16)5-6-14-10(17)2-3-11(14)18/h2-3,7-8H,1,4-6H2,(H,13,16)(H,19,20)
InChIKeyCFPBFANIFLJIOO-UHFFFAOYSA-N
XLogP-1.15
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-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

Related Compounds

N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 146428245
(4R)-4-(3-aminopropanoylamino)-5-oxopentanoic acid
CID 122462104
(4S)-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 155245358
5-oxo-4-[(2-sulfanylacetyl)amino]pentanoic acid
CID 172694165
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
2-[[5-(carboxymethylamino)-4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoyl]amino]acetic acid;methane
CID 162192189
(2S)-6-amino-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 69465675
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 175158189
3-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 90457244
6-(2,5-dioxopyrrol-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 123154320
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid (CID 142750404) is 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid is O=CC(CCC(=O)O)NC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid?
The InChIKey is CFPBFANIFLJIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c15-7-8(1-4-12(19)20)13-9(16)5-6-14-10(17)2-3-11(14)18/h2-3,7-8H,1,4-6H2,(H,13,16)(H,19,20).
What are the key properties of 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid?
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid has a molecular weight of 282.25 g/mol, XLogP of -1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 142750404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).