4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid

C8H10N2O4 — CID 140670709

IUPAC4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid
SMILESO=C(O)CCCNN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c11-6-3-4-7(12)10(6)9-5-1-2-8(13)14/h3-4,9H,1-2,5H2,(H,13,14)
InChIKeyORQORGGPUBSMGZ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.72
Rot. Bonds5

About 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid

4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid (PubChem CID 140670709) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid
PubChem CID140670709
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid
SMILESO=C(O)CCCNN1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O4/c11-6-3-4-7(12)10(6)9-5-1-2-8(13)14/h3-4,9H,1-2,5H2,(H,13,14)
InChIKeyORQORGGPUBSMGZ-UHFFFAOYSA-N
XLogP-0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-maleoyl aminobutyric acid
CID 129689391
N-maleimido-6-aminocaproic acid
CID 19361018
3-[(2,5-Dioxopyrrol-1-yl)amino]propanoic acid
CID 66921412
3-[(2,5-Dioxopyrrol-1-yl)amino]butanoic acid
CID 140403903
1-(Dimethylamino)pyrrole-2,5-dione;4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid
CID 160606472
(2S)-4-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-4-oxobutanoic acid
CID 178598404
4-(3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 20119325

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid?
The IUPAC name of 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid (CID 140670709) is 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid?
The canonical SMILES for 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid is O=C(O)CCCNN1C(=O)C=CC1=O.
What is the InChIKey of 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid?
The InChIKey is ORQORGGPUBSMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6-3-4-7(12)10(6)9-5-1-2-8(13)14/h3-4,9H,1-2,5H2,(H,13,14).
What are the key properties of 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid?
4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrol-1-yl)amino]butanoic acid is sourced from PubChem (CID 140670709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).