N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide

C11H20BrN3O2 — CID 59400545

IUPACN-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide
SMILESNCC(CCCNC(=O)CBr)N1CCCC1=O
InChIInChI=1S/C11H20BrN3O2/c12-7-10(16)14-5-1-3-9(8-13)15-6-2-4-11(15)17/h9H,1-8,13H2,(H,14,16)
InChIKeyZEJNOVJBPBRBIF-UHFFFAOYSA-N
MW306.20 g/mol
LogP0.23
Rot. Bonds7

About N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide

N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide (PubChem CID 59400545) has the molecular formula C11H20BrN3O2 and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide
PubChem CID59400545
Molecular FormulaC11H20BrN3O2
Molecular Weight306.20 g/mol
Exact Mass305.07
IUPAC NameN-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide
SMILESNCC(CCCNC(=O)CBr)N1CCCC1=O
InChIInChI=1S/C11H20BrN3O2/c12-7-10(16)14-5-1-3-9(8-13)15-6-2-4-11(15)17/h9H,1-8,13H2,(H,14,16)
InChIKeyZEJNOVJBPBRBIF-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide?
The IUPAC name of N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide (CID 59400545) is N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide.
What is the SMILES notation for N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide?
The canonical SMILES for N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide is NCC(CCCNC(=O)CBr)N1CCCC1=O.
What is the InChIKey of N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide?
The InChIKey is ZEJNOVJBPBRBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O2/c12-7-10(16)14-5-1-3-9(8-13)15-6-2-4-11(15)17/h9H,1-8,13H2,(H,14,16).
What are the key properties of N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide?
N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide has a molecular weight of 306.20 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(2-oxopyrrolidin-1-yl)pentyl]-2-bromoacetamide is sourced from PubChem (CID 59400545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).