2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid

C10H19NO4 — CID 102607610

IUPAC2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
SMILESCC(N)(CCCCOC1COC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(11,9(12)13)4-2-3-5-15-8-6-14-7-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyQTJRCPPYXMGFLL-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.37
Rot. Bonds7

About 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid

2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid (PubChem CID 102607610) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
PubChem CID102607610
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid
SMILESCC(N)(CCCCOC1COC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(11,9(12)13)4-2-3-5-15-8-6-14-7-8/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyQTJRCPPYXMGFLL-UHFFFAOYSA-N
XLogP0.37
TPSA81.78 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 ≤ 50.37
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-methyl-2-(methylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 102607418
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
2-hydroxy-2-methyl-3-(oxetan-3-yloxy)propanoic acid
CID 102605319
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
2,8-diamino-2-methyloctanoic acid
CID 87814639
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,6-diamino-2-methylhexanoic acid
CID 3017540
5-(oxetan-3-yloxy)pentanehydrazide
CID 102608461
N'-hydroxy-2,2-dimethyl-5-(oxetan-3-yloxy)pentanimidamide
CID 102606477

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid?
The IUPAC name of 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid (CID 102607610) is 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid is CC(N)(CCCCOC1COC1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid?
The InChIKey is QTJRCPPYXMGFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(11,9(12)13)4-2-3-5-15-8-6-14-7-8/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid?
2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(oxetan-3-yloxy)hexanoic acid is sourced from PubChem (CID 102607610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).