6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid

C11H19NO4 — CID 60919659

IUPAC6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NCC1CCOC1
InChIInChI=1S/C11H19NO4/c13-10(3-1-2-4-11(14)15)12-7-9-5-6-16-8-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyYOFTZIWYNZZLEH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds7

About 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid

6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid (PubChem CID 60919659) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
PubChem CID60919659
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NCC1CCOC1
InChIInChI=1S/C11H19NO4/c13-10(3-1-2-4-11(14)15)12-7-9-5-6-16-8-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyYOFTZIWYNZZLEH-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-oxo-6-(oxolan-3-ylmethylamino)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

Related Compounds

(2S)-2-amino-6-[[(3S)-oxolane-3-carbonyl]amino]hexanoic acid
CID 101524501
(2S)-2-amino-6-[[(3R)-oxolane-3-carbonyl]amino]hexanoic acid
CID 101524502
6-(4-Methoxybutanoylamino)hexanoic acid
CID 22957111
Ethyl 6-(4-hydroxybutanoylamino)hexanoate
CID 22957113
[6-(2-Methylbutylamino)-6-oxohexyl] acetate
CID 58091795
6-((3-Hydroxypropyl)amino)-6-oxohexanoic acid
CID 60887169
2-(2-Methylbutanoylamino)ethyl 6-hydroxyhexanoate
CID 89594012
4-[[6-(2-Methylpropoxy)-6-oxohexyl]amino]-4-oxobutanoic acid
CID 145309242
6-(Oxane-4-carbonylamino)hexanoic acid
CID 28777014
7-(Oxane-4-carbonylamino)heptanoic acid
CID 28779379
3-[3-(Oxolan-2-yl)propanoylamino]propanoic acid
CID 43170656
6-[3-(Oxolan-2-yl)propanoylamino]hexanoic acid
CID 43352879

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid (CID 60919659) is 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid is O=C(O)CCCCC(=O)NCC1CCOC1.
What is the InChIKey of 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid?
The InChIKey is YOFTZIWYNZZLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(3-1-2-4-11(14)15)12-7-9-5-6-16-8-9/h9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid?
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid is sourced from PubChem (CID 60919659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).