5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid

C9H12N2O6 — CID 87573492

IUPAC5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
SMILESNC1CC(=O)N(OC(=O)CCCC(=O)O)C1=O
InChIInChI=1S/C9H12N2O6/c10-5-4-6(12)11(9(5)16)17-8(15)3-1-2-7(13)14/h5H,1-4,10H2,(H,13,14)
InChIKeyRVSPBKAGSUJHRK-UHFFFAOYSA-N
MW244.20 g/mol
LogP-1.21
Rot. Bonds5

About 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid

5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid (PubChem CID 87573492) has the molecular formula C9H12N2O6 and a molecular weight of 244.20 g/mol. Its IUPAC name is 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
PubChem CID87573492
Molecular FormulaC9H12N2O6
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
SMILESNC1CC(=O)N(OC(=O)CCCC(=O)O)C1=O
InChIInChI=1S/C9H12N2O6/c10-5-4-6(12)11(9(5)16)17-8(15)3-1-2-7(13)14/h5H,1-4,10H2,(H,13,14)
InChIKeyRVSPBKAGSUJHRK-UHFFFAOYSA-N
XLogP-1.21
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid?
The IUPAC name of 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid (CID 87573492) is 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid?
The canonical SMILES for 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid is NC1CC(=O)N(OC(=O)CCCC(=O)O)C1=O.
What is the InChIKey of 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid?
The InChIKey is RVSPBKAGSUJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6/c10-5-4-6(12)11(9(5)16)17-8(15)3-1-2-7(13)14/h5H,1-4,10H2,(H,13,14).
What are the key properties of 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid?
5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid has a molecular weight of 244.20 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid is sourced from PubChem (CID 87573492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).