methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate

C11H19NO3 — CID 62064731

IUPACmethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC1CCC=CO1
InChIInChI=1S/C11H19NO3/c1-11(2,10(13)14-3)12-8-9-6-4-5-7-15-9/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyUUCGVKGWHRMJRB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate

methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate (PubChem CID 62064731) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate
PubChem CID62064731
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC1CCC=CO1
InChIInChI=1S/C11H19NO3/c1-11(2,10(13)14-3)12-8-9-6-4-5-7-15-9/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyUUCGVKGWHRMJRB-UHFFFAOYSA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate (CID 62064731) is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate is COC(=O)C(C)(C)NCC1CCC=CO1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate?
The InChIKey is UUCGVKGWHRMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,10(13)14-3)12-8-9-6-4-5-7-15-9/h5,7,9,12H,4,6,8H2,1-3H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate?
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-methylpropanoate is sourced from PubChem (CID 62064731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).