4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide

C11H19N3O4 — CID 165403538

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
SMILESCN(O)CCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H19N3O4/c1-13(18)8-6-12-9(15)3-2-7-14-10(16)4-5-11(14)17/h18H,2-8H2,1H3,(H,12,15)
InChIKeyOCCAIEIUAFDNHL-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.65
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide (PubChem CID 165403538) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
PubChem CID165403538
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide
SMILESCN(O)CCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H19N3O4/c1-13(18)8-6-12-9(15)3-2-7-14-10(16)4-5-11(14)17/h18H,2-8H2,1H3,(H,12,15)
InChIKeyOCCAIEIUAFDNHL-UHFFFAOYSA-N
XLogP-0.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide (CID 165403538) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide is CN(O)CCNC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide?
The InChIKey is OCCAIEIUAFDNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-13(18)8-6-12-9(15)3-2-7-14-10(16)4-5-11(14)17/h18H,2-8H2,1H3,(H,12,15).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide has a molecular weight of 257.29 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[hydroxy(methyl)amino]ethyl]butanamide is sourced from PubChem (CID 165403538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).