oxolan-2-yl 2-methyl-2-(methylamino)pentanoate

C11H21NO3 — CID 170233945

IUPACoxolan-2-yl 2-methyl-2-(methylamino)pentanoate
SMILESCCCC(C)(NC)C(=O)OC1CCCO1
InChIInChI=1S/C11H21NO3/c1-4-7-11(2,12-3)10(13)15-9-6-5-8-14-9/h9,12H,4-8H2,1-3H3
InChIKeyPQZKFTKPFPLHIS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.44
Rot. Bonds5

About oxolan-2-yl 2-methyl-2-(methylamino)pentanoate

oxolan-2-yl 2-methyl-2-(methylamino)pentanoate (PubChem CID 170233945) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is oxolan-2-yl 2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameoxolan-2-yl 2-methyl-2-(methylamino)pentanoate
PubChem CID170233945
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameoxolan-2-yl 2-methyl-2-(methylamino)pentanoate
SMILESCCCC(C)(NC)C(=O)OC1CCCO1
InChIInChI=1S/C11H21NO3/c1-4-7-11(2,12-3)10(13)15-9-6-5-8-14-9/h9,12H,4-8H2,1-3H3
InChIKeyPQZKFTKPFPLHIS-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
oxolan-2-yl 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 90142707
methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
CID 63247219
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxan-2-yl butanoate
CID 14932559
oxolan-2-yl 2-ethyl-2,4,4-trimethylhex-5-enoate
CID 90834463
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
methyl 2-methyl-2-(methylamino)-6-(oxolan-2-ylmethylsulfanyl)hexanoate
CID 106495524
oxan-2-yl 2-tert-butylpentanoate
CID 123458101
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
2-hydroxyethyl 2,2-dimethylbutanoate;oxan-2-yl 2,2-dimethylbutanoate
CID 158680626
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2-methyl-2-(methylamino)pentanoate?
The IUPAC name of oxolan-2-yl 2-methyl-2-(methylamino)pentanoate (CID 170233945) is oxolan-2-yl 2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for oxolan-2-yl 2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for oxolan-2-yl 2-methyl-2-(methylamino)pentanoate is CCCC(C)(NC)C(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 2-methyl-2-(methylamino)pentanoate?
The InChIKey is PQZKFTKPFPLHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-7-11(2,12-3)10(13)15-9-6-5-8-14-9/h9,12H,4-8H2,1-3H3.
What are the key properties of oxolan-2-yl 2-methyl-2-(methylamino)pentanoate?
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 170233945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).