2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid

C12H23NO4 — CID 106807173

IUPAC2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
SMILESCCNC(CC)(CCCOC1COC1)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-12(11(14)15,13-4-2)6-5-7-17-10-8-16-9-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyFNSLBVQTVHCBNR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.02
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid

2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid (PubChem CID 106807173) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
PubChem CID106807173
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
SMILESCCNC(CC)(CCCOC1COC1)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-12(11(14)15,13-4-2)6-5-7-17-10-8-16-9-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyFNSLBVQTVHCBNR-UHFFFAOYSA-N
XLogP1.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid (CID 106807173) is 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid is CCNC(CC)(CCCOC1COC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The InChIKey is FNSLBVQTVHCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-12(11(14)15,13-4-2)6-5-7-17-10-8-16-9-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid is sourced from PubChem (CID 106807173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).