5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide

C12H20BrN3O3 — CID 59400511

IUPAC5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide
SMILESCNC(=O)C(CCCNC(=O)CBr)N1CCCC1=O
InChIInChI=1S/C12H20BrN3O3/c1-14-12(19)9(16-7-3-5-11(16)18)4-2-6-15-10(17)8-13/h9H,2-8H2,1H3,(H,14,19)(H,15,17)
InChIKeyUBMCKDXVPKNACQ-UHFFFAOYSA-N
MW334.21 g/mol
LogP0.01
Rot. Bonds7

About 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide

5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide (PubChem CID 59400511) has the molecular formula C12H20BrN3O3 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide.

Molecular Properties

Compound Name5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide
PubChem CID59400511
Molecular FormulaC12H20BrN3O3
Molecular Weight334.21 g/mol
Exact Mass333.07
IUPAC Name5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide
SMILESCNC(=O)C(CCCNC(=O)CBr)N1CCCC1=O
InChIInChI=1S/C12H20BrN3O3/c1-14-12(19)9(16-7-3-5-11(16)18)4-2-6-15-10(17)8-13/h9H,2-8H2,1H3,(H,14,19)(H,15,17)
InChIKeyUBMCKDXVPKNACQ-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 50.01
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 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide?
The IUPAC name of 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide (CID 59400511) is 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide.
What is the SMILES notation for 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide?
The canonical SMILES for 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide is CNC(=O)C(CCCNC(=O)CBr)N1CCCC1=O.
What is the InChIKey of 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide?
The InChIKey is UBMCKDXVPKNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3/c1-14-12(19)9(16-7-3-5-11(16)18)4-2-6-15-10(17)8-13/h9H,2-8H2,1H3,(H,14,19)(H,15,17).
What are the key properties of 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide?
5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide has a molecular weight of 334.21 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromoacetyl)amino]-N-methyl-2-(2-oxopyrrolidin-1-yl)pentanamide is sourced from PubChem (CID 59400511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).