methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate

C14H20N2O4 — CID 90151076

IUPACmethyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-11-7-5-6-10(16-11)8-12(17)19-4/h5-7H,8-9H2,1-4H3,(H,15,18)
InChIKeyOJIIRECZYCRFMF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate

methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate (PubChem CID 90151076) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
PubChem CID90151076
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cccc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-11-7-5-6-10(16-11)8-12(17)19-4/h5-7H,8-9H2,1-4H3,(H,15,18)
InChIKeyOJIIRECZYCRFMF-UHFFFAOYSA-N
XLogP1.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate with MolForge

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Related Compounds

tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-prop-2-enyl-2-pyridinyl)methyl]carbamate
CID 86618645
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
methyl 2-(6-tert-butyl-2-pyridinyl)acetate
CID 176631988
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
tert-butyl N-[[6-[(1-benzhydrylazetidin-3-yl)methyl]-2-pyridinyl]methyl]carbamate
CID 86618646
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
tert-butyl N-[(2-methylsulfanylpyrimidin-4-yl)methyl]carbamate
CID 91759510
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
methyl 2-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]thiophen-2-yl]acetate
CID 103933670
methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
CID 19698379

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate (CID 90151076) is methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate is COC(=O)Cc1cccc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate?
The InChIKey is OJIIRECZYCRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-11-7-5-6-10(16-11)8-12(17)19-4/h5-7H,8-9H2,1-4H3,(H,15,18).
What are the key properties of methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate?
methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]acetate is sourced from PubChem (CID 90151076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).