6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

C12H20N2O4 — CID 43352884

IUPAC6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-14-8-9(7-10(14)15)12(18)13-6-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWSJNMJUGDIFPSH-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.23
Rot. Bonds7

About 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 43352884) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID43352884
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C12H20N2O4/c1-14-8-9(7-10(14)15)12(18)13-6-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyWSJNMJUGDIFPSH-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (CID 43352884) is 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is CN1CC(C(=O)NCCCCCC(=O)O)CC1=O.
What is the InChIKey of 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is WSJNMJUGDIFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14-8-9(7-10(14)15)12(18)13-6-4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 256.30 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 6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).