(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide

C11H18BrN3O3 — CID 59400524

IUPAC(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@H](C(N)=O)N1CC(CNC(=O)CBr)CC1=O
InChIInChI=1S/C11H18BrN3O3/c1-2-8(11(13)18)15-6-7(3-10(15)17)5-14-9(16)4-12/h7-8H,2-6H2,1H3,(H2,13,18)(H,14,16)/t7?,8-/m1/s1
InChIKeyCMDMKJAZYSYEFG-BRFYHDHCSA-N
MW320.19 g/mol
LogP-0.39
Rot. Bonds6

About (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide

(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 59400524) has the molecular formula C11H18BrN3O3 and a molecular weight of 320.19 g/mol. Its IUPAC name is (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
PubChem CID59400524
Molecular FormulaC11H18BrN3O3
Molecular Weight320.19 g/mol
Exact Mass319.05
IUPAC Name(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@H](C(N)=O)N1CC(CNC(=O)CBr)CC1=O
InChIInChI=1S/C11H18BrN3O3/c1-2-8(11(13)18)15-6-7(3-10(15)17)5-14-9(16)4-12/h7-8H,2-6H2,1H3,(H2,13,18)(H,14,16)/t7?,8-/m1/s1
InChIKeyCMDMKJAZYSYEFG-BRFYHDHCSA-N
XLogP-0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide (CID 59400524) is (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide is CC[C@H](C(N)=O)N1CC(CNC(=O)CBr)CC1=O.
What is the InChIKey of (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is CMDMKJAZYSYEFG-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H18BrN3O3/c1-2-8(11(13)18)15-6-7(3-10(15)17)5-14-9(16)4-12/h7-8H,2-6H2,1H3,(H2,13,18)(H,14,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide?
(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 320.19 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 59400524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).