tert-butyl N-(2-methoxy-3-pyridinyl)carbamate

C11H16N2O3 — CID 11064075

IUPACtert-butyl N-(2-methoxy-3-pyridinyl)carbamate
SMILESCOc1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-8-6-5-7-12-9(8)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeySJYKVVNRRFYDSS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.44
Rot. Bonds2

About tert-butyl N-(2-methoxy-3-pyridinyl)carbamate

tert-butyl N-(2-methoxy-3-pyridinyl)carbamate (PubChem CID 11064075) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-(2-methoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methoxy-3-pyridinyl)carbamate
PubChem CID11064075
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-(2-methoxy-3-pyridinyl)carbamate
SMILESCOc1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-8-6-5-7-12-9(8)15-4/h5-7H,1-4H3,(H,13,14)
InChIKeySJYKVVNRRFYDSS-UHFFFAOYSA-N
XLogP2.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methoxy-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-methoxy-3-pyridinyl)carbamate (CID 11064075) is tert-butyl N-(2-methoxy-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methoxy-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methoxy-3-pyridinyl)carbamate is COc1ncccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methoxy-3-pyridinyl)carbamate?
The InChIKey is SJYKVVNRRFYDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-8-6-5-7-12-9(8)15-4/h5-7H,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(2-methoxy-3-pyridinyl)carbamate?
tert-butyl N-(2-methoxy-3-pyridinyl)carbamate has a molecular weight of 224.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 11064075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).