(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate

C10H14N2O5 — CID 58669257

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate
SMILESCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c1-7(13)11-6-2-3-10(16)17-12-8(14)4-5-9(12)15/h2-6H2,1H3,(H,11,13)
InChIKeyRBOMUDUNZQQQKC-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.49
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate

(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate (PubChem CID 58669257) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate
PubChem CID58669257
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate
SMILESCC(=O)NCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H14N2O5/c1-7(13)11-6-2-3-10(16)17-12-8(14)4-5-9(12)15/h2-6H2,1H3,(H,11,13)
InChIKeyRBOMUDUNZQQQKC-UHFFFAOYSA-N
XLogP-0.49
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate (CID 58669257) is (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate is CC(=O)NCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate?
The InChIKey is RBOMUDUNZQQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-7(13)11-6-2-3-10(16)17-12-8(14)4-5-9(12)15/h2-6H2,1H3,(H,11,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate?
(2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate has a molecular weight of 242.23 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-acetamidobutanoate is sourced from PubChem (CID 58669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).