2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid

C10H19NO4 — CID 102607418

IUPAC2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
SMILESCNC(C)(CCCOC1COC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(11-2,9(12)13)4-3-5-15-8-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyHOWBLUSCFMGKGR-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.24
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid

2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid (PubChem CID 102607418) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
PubChem CID102607418
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
SMILESCNC(C)(CCCOC1COC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(11-2,9(12)13)4-3-5-15-8-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyHOWBLUSCFMGKGR-UHFFFAOYSA-N
XLogP0.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.24
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-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid (CID 102607418) is 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid is CNC(C)(CCCOC1COC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid?
The InChIKey is HOWBLUSCFMGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(11-2,9(12)13)4-3-5-15-8-6-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid?
2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid is sourced from PubChem (CID 102607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).