methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate

C15H27NO4 — CID 63557500

IUPACmethyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate
SMILESCOC(=O)C(C)(CCCCOC1CCOC1)NC1CC1
InChIInChI=1S/C15H27NO4/c1-15(14(17)18-2,16-12-5-6-12)8-3-4-9-20-13-7-10-19-11-13/h12-13,16H,3-11H2,1-2H3
InChIKeyHFFJGKKJPWRIAD-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.65
Rot. Bonds9

About methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate

methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate (PubChem CID 63557500) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate
PubChem CID63557500
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate
SMILESCOC(=O)C(C)(CCCCOC1CCOC1)NC1CC1
InChIInChI=1S/C15H27NO4/c1-15(14(17)18-2,16-12-5-6-12)8-3-4-9-20-13-7-10-19-11-13/h12-13,16H,3-11H2,1-2H3
InChIKeyHFFJGKKJPWRIAD-UHFFFAOYSA-N
XLogP1.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
2-amino-2-methyl-5-(oxolan-3-yloxy)pentanamide
CID 63557887
methyl 2-(cyclopropylamino)-2-methyl-6-(1,4-oxazepan-4-yl)hexanoate
CID 62973331
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-(cyclopropylamino)-2-methyl-3-(oxolan-3-yloxy)propan-1-ol
CID 64808693
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
ethyl 2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanoate
CID 82734670

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate (CID 63557500) is methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate is COC(=O)C(C)(CCCCOC1CCOC1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate?
The InChIKey is HFFJGKKJPWRIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-15(14(17)18-2,16-12-5-6-12)8-3-4-9-20-13-7-10-19-11-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate?
methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate has a molecular weight of 285.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-methyl-6-(oxolan-3-yloxy)hexanoate is sourced from PubChem (CID 63557500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).