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

C15H19NO3 — CID 55036207

IUPACmethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate
SMILESCOC(=O)C(NCC1CCC=CO1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-18-15(17)14(12-7-3-2-4-8-12)16-11-13-9-5-6-10-19-13/h2-4,6-8,10,13-14,16H,5,9,11H2,1H3
InChIKeyPKVBYBUVHYYGKA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.18
Rot. Bonds5

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

methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate (PubChem CID 55036207) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate
PubChem CID55036207
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate
SMILESCOC(=O)C(NCC1CCC=CO1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-18-15(17)14(12-7-3-2-4-8-12)16-11-13-9-5-6-10-19-13/h2-4,6-8,10,13-14,16H,5,9,11H2,1H3
InChIKeyPKVBYBUVHYYGKA-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
CID 55030737
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate
CID 55024475
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 62064923
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate (CID 55036207) is methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate is COC(=O)C(NCC1CCC=CO1)c1ccccc1.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate?
The InChIKey is PKVBYBUVHYYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-15(17)14(12-7-3-2-4-8-12)16-11-13-9-5-6-10-19-13/h2-4,6-8,10,13-14,16H,5,9,11H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate?
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-phenylacetate has a molecular weight of 261.32 g/mol, XLogP of 2.18, 5 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-phenylacetate is sourced from PubChem (CID 55036207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).