tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate

C12H20N2O3 — CID 143898441

IUPACtert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate
SMILESCOC1C=CC(CNC(=O)OC(C)(C)C)=CN1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(15)14-8-9-5-6-10(16-4)13-7-9/h5-7,10,13H,8H2,1-4H3,(H,14,15)
InChIKeyLIHFCRMOOVIPIQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate

tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate (PubChem CID 143898441) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate
PubChem CID143898441
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate
SMILESCOC1C=CC(CNC(=O)OC(C)(C)C)=CN1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(15)14-8-9-5-6-10(16-4)13-7-9/h5-7,10,13H,8H2,1-4H3,(H,14,15)
InChIKeyLIHFCRMOOVIPIQ-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[[3-(1-cyclopropylethyl)imidazol-4-yl]methyl]carbamate
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tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
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tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
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tert-butyl N-(furan-3-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate (CID 143898441) is tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate is COC1C=CC(CNC(=O)OC(C)(C)C)=CN1.
What is the InChIKey of tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate?
The InChIKey is LIHFCRMOOVIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)17-11(15)14-8-9-5-6-10(16-4)13-7-9/h5-7,10,13H,8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate?
tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate has a molecular weight of 240.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate is sourced from PubChem (CID 143898441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).