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

C13H22N2O4 — CID 43170028

IUPAC6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCCN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-2-15-9-10(8-11(15)16)13(19)14-7-5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyHEUFCTIATSMYLL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.62
Rot. Bonds8

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

6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 43170028) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID43170028
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCCN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C13H22N2O4/c1-2-15-9-10(8-11(15)16)13(19)14-7-5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyHEUFCTIATSMYLL-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (CID 43170028) is 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is CCN1CC(C(=O)NCCCCCC(=O)O)CC1=O.
What is the InChIKey of 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is HEUFCTIATSMYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-15-9-10(8-11(15)16)13(19)14-7-5-3-4-6-12(17)18/h10H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43170028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).