6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid

C14H24N2O4 — CID 43352903

IUPAC6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)N1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C14H24N2O4/c1-10(2)16-9-11(8-12(16)17)14(20)15-7-5-3-4-6-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFIWJDSRQADVAJH-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds8

About 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid

6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 43352903) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID43352903
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)N1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C14H24N2O4/c1-10(2)16-9-11(8-12(16)17)14(20)15-7-5-3-4-6-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFIWJDSRQADVAJH-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
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-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid (CID 43352903) is 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid is CC(C)N1CC(C(=O)NCCCCCC(=O)O)CC1=O.
What is the InChIKey of 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is FIWJDSRQADVAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)16-9-11(8-12(16)17)14(20)15-7-5-3-4-6-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid?
6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).