6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

C15H26N2O4 — CID 43352899

IUPAC6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESCC(C)CN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C15H26N2O4/c1-11(2)9-17-10-12(8-13(17)18)15(21)16-7-5-3-4-6-14(19)20/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJUZPYXPEAGYBSC-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds9

About 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid

6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (PubChem CID 43352899) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
PubChem CID43352899
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
SMILESCC(C)CN1CC(C(=O)NCCCCCC(=O)O)CC1=O
InChIInChI=1S/C15H26N2O4/c1-11(2)9-17-10-12(8-13(17)18)15(21)16-7-5-3-4-6-14(19)20/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJUZPYXPEAGYBSC-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
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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Related Compounds

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43170784
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81064929
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
1-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369448

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid (CID 43352899) is 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is CC(C)CN1CC(C(=O)NCCCCCC(=O)O)CC1=O.
What is the InChIKey of 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
The InChIKey is JUZPYXPEAGYBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(2)9-17-10-12(8-13(17)18)15(21)16-7-5-3-4-6-14(19)20/h11-12H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid?
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 43352899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).