2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid

C13H25NO4 — CID 106806746

IUPAC2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
SMILESCCC(CCCOC1CCOCC1)(NC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-3-13(14-2,12(15)16)7-4-8-18-11-5-9-17-10-6-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyFZQLEIORPAUMHH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid

2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid (PubChem CID 106806746) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
PubChem CID106806746
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
SMILESCCC(CCCOC1CCOCC1)(NC)C(=O)O
InChIInChI=1S/C13H25NO4/c1-3-13(14-2,12(15)16)7-4-8-18-11-5-9-17-10-6-11/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyFZQLEIORPAUMHH-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
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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Related Compounds

2-Ethyl-2-(methylamino)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106806905
2-Ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807108
2-Ethyl-2-(ethylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807109
2-Ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
5-(2,2-Difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2-Ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(methylamino)pentanoic acid
CID 106807178
2-Ethyl-2-(methylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 113879170
2-Ethyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 113879176
2-Ethyl-2-(methylamino)-5-(3,3,3-trifluoropropoxy)pentanoic acid
CID 113879177
2-(2,6-Dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid
CID 123685447
5-Cycloheptyloxy-2-methyl-2-(methylamino)pentanoic acid
CID 61922712
5-Cycloheptyloxy-2-(ethylamino)-2-methylpentanoic acid
CID 61922912

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid (CID 106806746) is 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid is CCC(CCCOC1CCOCC1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid?
The InChIKey is FZQLEIORPAUMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-13(14-2,12(15)16)7-4-8-18-11-5-9-17-10-6-11/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid?
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid is sourced from PubChem (CID 106806746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).