N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide

C11H17N3O3 — CID 169116730

IUPACN-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCCCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c12-6-2-1-3-7-13-9(15)8-14-10(16)4-5-11(14)17/h4-5H,1-3,6-8,12H2,(H,13,15)
InChIKeyRAYQZZPQVOKAGY-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.84
Rot. Bonds7

About N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide

N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 169116730) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID169116730
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCCCCCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17N3O3/c12-6-2-1-3-7-13-9(15)8-14-10(16)4-5-11(14)17/h4-5H,1-3,6-8,12H2,(H,13,15)
InChIKeyRAYQZZPQVOKAGY-UHFFFAOYSA-N
XLogP-0.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.84
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

methyl N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]carbamate
CID 21042085
6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 176610853
(2R)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 140938922
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 172820590
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
N-(6-aminohexyl)-2-(disulfanyl)acetamide
CID 129106459
2-(2,5-dioxopyrrol-1-yl)-N-(methylaminomethyl)acetamide
CID 91129259
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 134608618
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 169116730) is N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide is NCCCCCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is RAYQZZPQVOKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-6-2-1-3-7-13-9(15)8-14-10(16)4-5-11(14)17/h4-5H,1-3,6-8,12H2,(H,13,15).
What are the key properties of N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 169116730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).