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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Related Compounds

N-butyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17035020
[1-[6-[2-[hydroxy(methyl)amino]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]astatine
CID 165403658
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
N-[2-[methyl(methylsulfonyl)amino]ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131910183
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 134028900
N-[2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]-6,6-diformamidohexanamide
CID 173041164
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
6-(2,5-dioxopyrrolidin-1-yl)-N-[6-(3-methylpyrrolidin-1-yl)-6-oxohexyl]hexanamide;ethane;molecular hydrogen
CID 145076492

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).