5-[1-(oxolan-2-yl)ethylamino]pentanoic acid

C11H21NO3 — CID 103238581

IUPAC5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(NCCCCC(=O)O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-9(10-5-4-8-15-10)12-7-3-2-6-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyZMVSGTGDHLZMJM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.40
Rot. Bonds7

About 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid

5-[1-(oxolan-2-yl)ethylamino]pentanoic acid (PubChem CID 103238581) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
PubChem CID103238581
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
SMILESCC(NCCCCC(=O)O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-9(10-5-4-8-15-10)12-7-3-2-6-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyZMVSGTGDHLZMJM-UHFFFAOYSA-N
XLogP1.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[1-(oxolan-2-yl)ethylamino]pentanoic 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 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The IUPAC name of 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid (CID 103238581) is 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid.
What is the SMILES notation for 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The canonical SMILES for 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid is CC(NCCCCC(=O)O)C1CCCO1.
What is the InChIKey of 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
The InChIKey is ZMVSGTGDHLZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(10-5-4-8-15-10)12-7-3-2-6-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid?
5-[1-(oxolan-2-yl)ethylamino]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolan-2-yl)ethylamino]pentanoic acid is sourced from PubChem (CID 103238581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).